data_2ndd_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2ndd _Structure_validation_residue.Date_analyzed 2017-05-26 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 ' 6' ' ' CYS . . . . . 0.567 ' SG ' ' NH1' ' A' ' 11' ' ' ARG . 35.0 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.737 0.303 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.4 p -42.44 135.67 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.85 -109.3 3.39 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 p -106.96 -43.96 4.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.757 0.313 . . . . 0.0 110.619 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -136.44 0.88 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.567 ' NH1' ' SG ' ' A' ' 6' ' ' CYS . 1.3 tmm_? -104.11 136.35 43.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -168.47 -23.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.568 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -60.03 -20.78 59.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.653 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -76.61 -64.28 1.15 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -33.0 74.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.479 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.5 ttp -62.84 -53.62 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.524 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.98 -39.72 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -62.24 -43.1 99.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.591 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.481 ' SG ' ' NE2' ' A' ' 23' ' ' HIS . 4.2 t -72.5 -32.49 66.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.353 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.06 -40.05 90.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.601 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -43.24 62.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.626 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.77 -35.76 80.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.481 ' NE2' ' SG ' ' A' ' 19' ' ' CYS . 5.9 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.494 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.881 0.372 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 91.1 p -85.23 134.96 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -120.16 -97.47 1.65 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.584 ' HG ' ' HE ' ' A' ' 10' ' ' ARG . 33.5 t -115.37 -58.52 2.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.678 0.275 . . . . 0.0 110.567 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.584 ' HE ' ' HG ' ' A' ' 9' ' ' SER . 38.1 mtm180 -129.44 26.62 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.608 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -141.19 126.81 18.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.576 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.7 m -160.25 -23.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -75.58 -16.55 60.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.661 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.26 -24.42 66.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.487 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -126.37 -38.47 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.446 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 3.0 ttm -61.95 -31.44 71.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.657 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -77.48 -29.98 52.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -78.49 -32.81 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.5 m -81.51 -38.63 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.433 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -49.34 -34.39 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.561 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -87.24 -56.31 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.647 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.29 -39.77 57.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.755 0.312 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 t -41.66 155.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.35 -97.64 0.97 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -122.79 -17.7 6.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.567 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -165.75 -12.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.496 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -101.8 143.75 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' LYS . 52.0 m -147.41 -29.27 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -40.17 -24.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.654 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' THR . 36.3 tttt -71.38 -68.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.652 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -35.03 79.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.576 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.9 ttt -55.19 -60.57 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -53.14 -45.67 68.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.666 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -61.47 -44.7 96.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.647 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.2 t -74.01 -21.95 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -75.92 -41.48 51.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -40.47 66.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.49 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.39 -1.4 18.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.51 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.466 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 44.4 t . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.754 0.312 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.09 139.1 35.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.93 -119.74 2.41 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.98 98.08 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.588 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 55.58 25.24 7.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -143.96 132.75 22.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 m -161.96 -26.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.692 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -71.49 1.25 6.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.631 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 tptm -80.06 -54.74 5.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.631 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 p -90.63 -32.84 16.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.649 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -60.83 -42.95 98.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.49 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -47.9 -65.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.492 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.521 ' CD ' ' N ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -52.89 -38.43 61.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.365 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 t -72.94 -25.48 61.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 16' ' ' MET . 24.8 t30 -74.91 -29.64 61.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.676 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -86.35 -37.49 18.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.673 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.22 -41.29 85.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.687 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 7' ' ' SER . 7.9 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.78 0.324 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 71.4 p -52.86 173.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.385 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.95 -88.29 0.6 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.7 m -151.15 -42.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.525 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 -115.91 8.42 14.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -144.11 155.1 43.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 11' ' ' ARG . 53.1 m -168.01 -22.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 0.12 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.627 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -75.98 -29.0 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.79 -32.88 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.72 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' ASN . 51.4 ttp -56.39 -37.89 70.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -51.86 -61.31 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.624 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -34.36 73.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.426 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.6 -20.54 59.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.408 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' MET . 16.1 t-20 -77.17 -37.94 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.427 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -36.61 66.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.411 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.56 -29.02 68.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.391 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.448 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.549 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.2 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.884 0.373 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.44 113.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.59 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.8 -103.48 1.7 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 60.7 p -129.15 -64.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.603 0.24 . . . . 0.0 110.588 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.46 ' N ' ' OG ' ' A' ' 9' ' ' SER . 14.0 mmp_? -106.15 19.39 20.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.529 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.26 156.71 37.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.0 m -167.82 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.53 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 4.47 9.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.534 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -73.61 -32.05 63.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.794 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.66 -24.95 1.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.672 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' ASN . 8.0 ttt -60.03 -32.3 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.561 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -54.46 -57.43 11.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.009 0.433 . . . . 0.0 110.41 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -39.15 87.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.513 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -19.74 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' MET . 14.3 t-20 -78.02 -31.98 50.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.599 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -85.84 -36.22 20.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -79.33 6.7 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.627 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.789 0.328 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 m -48.59 138.13 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.58 -122.18 4.16 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 p -105.64 -59.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.518 0.199 . . . . 0.0 110.658 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -119.83 12.48 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.734 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -134.53 153.47 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.387 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.542 ' C ' ' H ' ' A' ' 14' ' ' LYS . 18.8 m -152.7 -29.36 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -64.27 5.44 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.65 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 12' ' ' THR . 0.8 OUTLIER -63.23 -57.62 9.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.578 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 -15.76 11.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.612 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -61.46 -49.03 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.489 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.552 HE21 ' CA ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -54.15 -52.64 60.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -42.8 94.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -75.6 -14.41 60.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' MET . 3.9 t30 -90.4 -33.1 16.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.694 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -49.33 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.684 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.87 -11.73 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.717 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.474 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.834 0.349 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.96 146.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.93 -99.66 0.43 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 11' ' ' ARG . 32.8 t -99.12 90.06 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.549 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 50.89 10.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 9' ' ' SER . 6.1 ttm180 -119.51 166.58 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.407 ' HG1' ' C ' ' A' ' 11' ' ' ARG . 95.1 m -164.91 -27.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.99 1.53 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -72.65 -35.35 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 -32.35 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.587 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.438 ' SD ' ' C ' ' A' ' 16' ' ' MET . 10.8 tmm? -58.47 -29.19 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -55.42 22.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -34.64 72.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.527 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.463 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 14.0 t -73.48 -29.78 62.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.548 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -69.0 -40.1 78.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -43.0 60.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.617 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -43.84 -37.23 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 19' ' ' CYS . 6.5 m170 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.825 0.345 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 t -42.81 160.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.08 -98.4 2.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.26 -60.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 110.575 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.98 -12.57 15.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -106.88 145.15 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 m -148.25 -33.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 11.4 mptt -59.48 -16.62 25.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -64.09 -37.99 89.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.731 -179.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -107.91 -33.88 7.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.711 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -44.59 83.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -54.41 -49.5 69.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.686 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' OE2' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -60.72 -40.55 92.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.598 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -70.2 -29.58 66.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -47.05 31.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.587 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -60.72 -62.11 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.693 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -50.51 -26.83 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.551 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 2.0 m80 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.94 140.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.611 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.57 -119.76 1.94 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -83.54 86.75 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.611 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.705 ' H ' ' HE ' ' A' ' 10' ' ' ARG . 2.9 mmp_? 52.02 22.73 1.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -133.0 155.9 48.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.6 m -155.36 -28.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -71.95 2.61 5.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.572 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -68.42 -38.9 81.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.681 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.74 -28.19 2.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.5 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.8 ttp -52.35 -44.13 65.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.502 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -54.83 -59.08 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.707 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -56.13 -32.5 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 t -74.96 -36.56 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.19 -37.5 83.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.481 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -75.98 -40.97 52.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.05 -42.64 76.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.4 t60 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.637 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.797 0.332 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 p -40.63 141.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -111.46 -43.92 0.95 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 170.61 -61.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -109.92 3.57 20.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -139.65 138.67 36.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.0 m -143.44 -23.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.566 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -71.36 -0.21 9.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.528 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -65.34 -44.15 88.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.56 -30.99 4.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.569 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.6 tpt -51.71 -42.62 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.633 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -59.43 -55.14 38.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.476 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' CD ' ' N ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -53.8 -36.22 62.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.584 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -39.17 68.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.441 HD21 ' C ' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -60.87 -31.61 71.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 179.86 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -42.52 25.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.507 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -69.81 -45.43 67.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.506 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 -179.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 2.7 t . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.816 0.341 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -54.87 115.87 2.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.24 -120.36 4.75 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -120.72 116.23 24.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.874 0.368 . . . . 0.0 110.627 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.6 mtm-85 56.84 20.91 5.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -151.7 145.54 25.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.453 ' C ' ' H ' ' A' ' 14' ' ' LYS . 31.7 m -143.08 -31.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.567 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -64.73 0.35 1.17 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.605 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 12' ' ' THR . 10.3 tptt -53.5 -54.05 42.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.686 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -135.1 -10.2 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.724 -179.767 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.488 ' O ' ' SD ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -46.36 -51.11 15.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -43.64 49.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.473 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 mmtm -62.8 -10.13 11.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.66 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.1 t -104.51 -46.64 4.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.06 -30.85 38.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.58 -23.36 16.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.518 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -90.34 -58.06 2.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.722 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.557 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.79 106.3 10.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.1 -113.0 3.01 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.17 92.18 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.702 0.287 . . . . 0.0 110.572 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 56.12 23.17 6.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -139.89 141.77 36.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.2 m -149.34 -23.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -78.2 3.41 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.629 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -73.53 -33.24 64.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.18 -32.18 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.648 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.5 ttt -53.12 -39.58 63.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -58.25 -48.59 79.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.701 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 18' ' ' LYS . 11.9 mptt -59.64 -36.94 77.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.4 m -71.99 -34.62 69.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.519 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.77 -39.83 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.461 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -44.93 73.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.492 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -63.46 -56.0 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.598 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.8 p -47.38 158.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.34 -78.4 1.41 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -141.7 -50.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.716 0.293 . . . . 0.0 110.559 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -131.17 12.48 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.465 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.492 ' C ' ' HG1' ' A' ' 12' ' ' THR . 2.4 tpp85 -134.77 156.1 49.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.584 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.492 ' HG1' ' C ' ' A' ' 11' ' ' ARG . 11.9 m -157.92 -31.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -45.56 -26.28 0.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.518 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 18.4 pttm -65.34 -41.06 94.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.613 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 34.5 t -101.13 -16.41 17.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.4 ttm -71.89 -37.35 70.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.579 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.645 HE21 ' CA ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -64.57 -34.51 78.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.518 ' NZ ' ' O ' ' A' ' 14' ' ' LYS . 16.3 mmtm -71.16 -43.74 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.582 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 t -74.53 -19.67 60.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.512 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -80.21 -42.54 23.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -70.42 -46.31 64.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -62.43 -52.07 65.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.446 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.767 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.862 0.363 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 t -41.74 152.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.31 -105.2 3.01 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.8 m -121.3 -41.36 2.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.634 0.254 . . . . 0.0 110.65 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.09 9.09 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.745 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -124.18 135.05 53.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.655 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 14' ' ' LYS . 6.3 m -159.79 -13.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.56 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.51 1.74 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.772 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 12' ' ' THR . 7.1 tttm -92.03 -74.89 0.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.733 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.3 m -60.64 -34.71 74.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.9 ttt -58.41 -55.12 39.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.506 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.9 -43.26 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.616 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.16 -43.1 99.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -29.97 64.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.417 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -65.15 -40.23 94.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.549 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -71.02 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.73 -17.09 64.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.675 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.475 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 1.4 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.77 0.319 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.3 t -41.31 154.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.577 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.24 -103.71 2.47 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -111.2 -26.03 9.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.564 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.01 -8.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.563 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.54 ' C ' ' HG1' ' A' ' 12' ' ' THR . 21.7 ttm105 -103.89 152.42 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.54 ' HG1' ' C ' ' A' ' 11' ' ' ARG . 87.6 m -157.21 -29.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.603 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -47.06 -15.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.545 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 12' ' ' THR . 10.0 tttm -68.31 -68.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -37.46 68.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.523 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.9 tpt -52.99 -56.99 11.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.578 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -43.26 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -35.79 77.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.54 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.89 -38.86 66.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.588 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.403 HD21 ' C ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -60.41 -35.17 75.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -77.89 -50.21 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.499 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -47.54 -29.75 3.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.523 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.577 179.565 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.775 0.322 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 p -63.75 123.07 17.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.479 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.49 -111.04 3.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 11' ' ' ARG . 2.4 p -109.68 98.59 7.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.725 0.297 . . . . 0.0 110.508 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 51.16 13.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.567 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.466 ' C ' ' HG1' ' A' ' 12' ' ' THR . 11.2 ttm180 -128.63 149.89 50.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.466 ' HG1' ' C ' ' A' ' 11' ' ' ARG . 10.7 m -167.46 -24.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.219 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -56.43 -18.35 10.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -67.21 -70.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.476 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -41.2 97.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.694 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -61.56 2.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -43.03 76.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.715 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -61.4 -42.46 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.1 m -73.38 -35.86 65.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.63 -38.19 90.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -47.69 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -59.99 -14.8 17.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.568 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.4 m80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.543 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.6 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.78 0.324 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.84 115.68 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.481 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -105.02 -123.16 5.19 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 11' ' ' ARG . 10.4 m -66.8 71.04 0.08 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.904 0.383 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER 54.74 7.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.618 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.591 HH11 ' HZ1' ' A' ' 14' ' ' LYS . 29.6 ttm180 -102.77 151.24 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.433 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.489 ' HG1' ' C ' ' A' ' 11' ' ' ARG . 31.2 m -152.26 -29.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.566 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -42.01 -24.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.384 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.591 ' HZ1' HH11 ' A' ' 11' ' ' ARG . 1.1 tppm? -67.24 -65.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.06 0.457 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.05 -44.36 69.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.498 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -48.24 -52.74 19.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -62.33 -48.07 81.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.503 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -62.19 -21.95 65.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -90.83 -44.14 9.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.404 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -59.64 -27.1 66.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.527 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -22.97 66.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -84.71 19.41 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.444 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 p80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.52 -179.92 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.801 0.334 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -42.99 134.18 3.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.78 -102.97 1.0 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -116.58 -10.15 11.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.757 0.313 . . . . 0.0 110.642 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -175.63 -4.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.652 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -107.25 144.45 34.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 14' ' ' LYS . 16.3 m -139.22 -26.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.612 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -72.33 6.01 2.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.735 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 61.9 tttp -75.15 -49.36 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.532 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -106.8 -30.85 8.67 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.7 tpt -59.47 -39.32 83.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.688 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -56.01 -47.76 77.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.775 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' A' ' 14' ' ' LYS . 2.5 mmtm -65.68 -36.4 83.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.441 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.0 m -72.72 -35.84 67.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.15 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -45.03 96.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.442 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -45.24 68.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.437 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -62.29 -46.82 87.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.444 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.543 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.5 m . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.811 0.339 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.8 p -48.44 106.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.491 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.79 -115.82 3.04 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -119.31 -20.62 7.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.3 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.98 -6.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.676 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -112.24 156.45 22.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 14' ' ' LYS . 85.5 m -165.51 -27.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -70.26 4.06 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.477 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 12' ' ' THR . 41.4 tttt -67.2 -46.39 74.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.777 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 m -122.26 -20.61 6.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.652 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' ASN . 16.1 ttt -64.61 -37.12 86.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -55.46 -57.71 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.716 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -56.23 -37.91 70.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.455 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.9 t -75.4 -28.95 59.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' MET . 1.8 t-20 -76.67 -33.11 58.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.42 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -77.44 -45.06 26.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -84.1 15.78 3.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.585 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.795 0.331 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.9 p -155.21 -27.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -89.91 -49.71 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.519 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -79.76 -21.5 44.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.646 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -81.99 14.93 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.567 ' SG ' ' NH1' ' A' ' 11' ' ' ARG . 35.0 t -146.64 -40.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.472 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.4 p -42.44 135.67 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.85 -109.3 3.39 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 p -106.96 -43.96 4.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.757 0.313 . . . . 0.0 110.619 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -136.44 0.88 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.567 ' NH1' ' SG ' ' A' ' 6' ' ' CYS . 1.3 tmm_? -104.11 136.35 43.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -168.47 -23.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.568 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -60.03 -20.78 59.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.653 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -76.61 -64.28 1.15 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -33.0 74.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.479 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.5 ttp -62.84 -53.62 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.524 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.98 -39.72 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -62.24 -43.1 99.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.591 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.481 ' SG ' ' NE2' ' A' ' 23' ' ' HIS . 4.2 t -72.5 -32.49 66.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.353 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.06 -40.05 90.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.601 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -43.24 62.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.626 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.77 -35.76 80.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.481 ' NE2' ' SG ' ' A' ' 19' ' ' CYS . 5.9 m-70 -81.85 6.11 16.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.494 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.03 11.53 54.04 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.575 ' ND1' ' N ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -58.37 -104.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.557 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . 0.419 ' HN1' ' CG ' ' A' ' 25' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.065 -1.647 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.883 0.373 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.5 p -144.59 -12.99 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.598 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' A' ' 5' ' ' GLU . 21.9 tttp -68.84 103.03 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.526 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.485 ' C ' ' H ' ' A' ' 6' ' ' CYS . 3.0 ttmt 73.34 -16.71 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.496 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 3' ' ' LYS . 2.5 mt-10 -75.85 18.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.485 ' H ' ' C ' ' A' ' 4' ' ' LYS . 26.3 p -138.45 11.1 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.465 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 91.1 p -85.23 134.96 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -120.16 -97.47 1.65 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.584 ' HG ' ' HE ' ' A' ' 10' ' ' ARG . 33.5 t -115.37 -58.52 2.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.678 0.275 . . . . 0.0 110.567 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.584 ' HE ' ' HG ' ' A' ' 9' ' ' SER . 38.1 mtm180 -129.44 26.62 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.608 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -141.19 126.81 18.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.576 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.7 m -160.25 -23.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -75.58 -16.55 60.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.661 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.26 -24.42 66.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.487 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -126.37 -38.47 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.446 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 3.0 ttm -61.95 -31.44 71.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.657 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -77.48 -29.98 52.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -78.49 -32.81 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.5 m -81.51 -38.63 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.433 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -49.34 -34.39 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.561 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -87.24 -56.31 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.647 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.29 -39.77 57.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.33 5.31 35.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.21 -18.86 58.44 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.532 ' ND1' ' N ' ' A' ' 26' ' ' NH2 . 20.8 t-80 -41.13 144.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.164 -0.214 . . . . 0.0 110.64 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . 0.532 ' N ' ' ND1' ' A' ' 25' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.037 -1.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.799 0.333 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 p -158.28 -21.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.513 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -82.21 -56.93 3.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -8.56 59.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.622 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -92.36 16.77 10.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 t -151.55 -27.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.57 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 t -41.66 155.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.35 -97.64 0.97 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -122.79 -17.7 6.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.567 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -165.75 -12.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.496 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -101.8 143.75 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' LYS . 52.0 m -147.41 -29.27 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -40.17 -24.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.654 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' THR . 36.3 tttt -71.38 -68.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.652 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -35.03 79.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.576 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.9 ttt -55.19 -60.57 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -53.14 -45.67 68.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.666 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -61.47 -44.7 96.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.647 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.2 t -74.01 -21.95 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -75.92 -41.48 51.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -40.47 66.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.49 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.39 -1.4 18.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.65 -7.36 59.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.51 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.26 16.27 13.9 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.1 150.74 45.18 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.549 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.074 -1.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.454 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.732 0.301 . . . . 0.0 110.494 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -158.62 -19.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.513 ' C ' ' H ' ' A' ' 5' ' ' GLU . 27.6 mttm -70.14 118.49 13.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.606 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 mttt 60.29 2.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.673 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 3' ' ' LYS . 2.7 mt-10 -105.64 -141.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.47 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.466 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 44.4 t 43.99 20.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.528 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' GLU . 0.6 OUTLIER -81.09 139.1 35.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.93 -119.74 2.41 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.98 98.08 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.588 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 55.58 25.24 7.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -143.96 132.75 22.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 m -161.96 -26.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.692 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -71.49 1.25 6.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.631 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 tptm -80.06 -54.74 5.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.631 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 p -90.63 -32.84 16.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.649 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -60.83 -42.95 98.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.49 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -47.9 -65.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.492 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.521 ' CD ' ' N ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -52.89 -38.43 61.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.365 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 t -72.94 -25.48 61.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 16' ' ' MET . 24.8 t30 -74.91 -29.64 61.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.676 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -86.35 -37.49 18.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.673 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.22 -41.29 85.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.687 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -90.23 14.77 11.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.13 8.9 75.61 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -52.79 -58.41 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.483 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 120.056 -1.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.924 0.392 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.17 -25.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.39 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -79.08 -55.61 4.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.687 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -86.46 1.57 50.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -103.91 3.18 33.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.764 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 7' ' ' SER . 7.9 p -133.53 -37.69 0.94 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 71.4 p -52.86 173.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.385 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.95 -88.29 0.6 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.7 m -151.15 -42.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.525 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 -115.91 8.42 14.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -144.11 155.1 43.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 11' ' ' ARG . 53.1 m -168.01 -22.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 0.12 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.627 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -75.98 -29.0 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.79 -32.88 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.72 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' ASN . 51.4 ttp -56.39 -37.89 70.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -51.86 -61.31 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.624 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -34.36 73.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.426 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.6 -20.54 59.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.408 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' MET . 16.1 t-20 -77.17 -37.94 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.427 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -36.61 66.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.411 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.56 -29.02 68.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.391 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.448 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -89.17 -8.34 53.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.549 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.29 -3.85 58.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.32 -63.12 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.174 -0.21 . . . . 0.0 110.608 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.032 -1.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.7 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.679 0.276 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.2 t -134.58 -36.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.561 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -68.57 -66.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -63.79 -30.55 71.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.67 -51.49 67.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.638 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.2 m -65.66 -45.02 84.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.44 113.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.59 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.8 -103.48 1.7 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 60.7 p -129.15 -64.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.603 0.24 . . . . 0.0 110.588 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.46 ' N ' ' OG ' ' A' ' 9' ' ' SER . 14.0 mmp_? -106.15 19.39 20.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.529 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.26 156.71 37.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.0 m -167.82 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.53 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 4.47 9.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.534 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -73.61 -32.05 63.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.794 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.66 -24.95 1.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.672 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' ASN . 8.0 ttt -60.03 -32.3 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.561 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -54.46 -57.43 11.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.009 0.433 . . . . 0.0 110.41 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -39.15 87.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.513 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -19.74 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' MET . 14.3 t-20 -78.02 -31.98 50.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.599 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -85.84 -36.22 20.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -79.33 6.7 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.627 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.39 -21.58 62.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.9 20.59 50.01 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.427 ' ND1' ' C ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -59.56 -62.45 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.656 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.006 -1.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.44 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 40.1 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.834 0.35 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.1 p -157.22 -4.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.462 ' C ' ' H ' ' A' ' 5' ' ' GLU . 1.1 tptp -75.29 85.38 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 tttt 71.93 -8.27 1.15 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.462 ' H ' ' C ' ' A' ' 3' ' ' LYS . 4.8 mt-10 -73.62 2.34 8.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.689 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.3 p -114.37 3.99 15.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.551 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 m -48.59 138.13 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.58 -122.18 4.16 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 p -105.64 -59.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.518 0.199 . . . . 0.0 110.658 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -119.83 12.48 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.734 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -134.53 153.47 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.387 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.542 ' C ' ' H ' ' A' ' 14' ' ' LYS . 18.8 m -152.7 -29.36 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -64.27 5.44 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.65 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.542 ' H ' ' C ' ' A' ' 12' ' ' THR . 0.8 OUTLIER -63.23 -57.62 9.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.578 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 -15.76 11.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.612 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -61.46 -49.03 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.489 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.552 HE21 ' CA ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -54.15 -52.64 60.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -42.8 94.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -75.6 -14.41 60.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' MET . 3.9 t30 -90.4 -33.1 16.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.694 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -49.33 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.684 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.87 -11.73 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.717 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.474 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -73.24 -13.22 61.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.14 6.03 84.07 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 26' ' ' NH2 . 0.1 OUTLIER -41.59 -42.38 2.44 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.643 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . 0.527 ' N ' ' CD2' ' A' ' 25' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.002 -1.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.806 0.336 . . . . 0.0 110.56 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m -154.07 -1.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.549 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -101.93 -70.7 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.545 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -77.26 -0.46 25.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.511 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -101.96 -7.02 22.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.571 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.15 -27.59 5.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.569 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.96 146.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.93 -99.66 0.43 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.501 ' C ' ' H ' ' A' ' 11' ' ' ARG . 32.8 t -99.12 90.06 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.549 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 50.89 10.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 9' ' ' SER . 6.1 ttm180 -119.51 166.58 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.407 ' HG1' ' C ' ' A' ' 11' ' ' ARG . 95.1 m -164.91 -27.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.99 1.53 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -72.65 -35.35 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 -32.35 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.587 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.438 ' SD ' ' C ' ' A' ' 16' ' ' MET . 10.8 tmm? -58.47 -29.19 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -55.42 22.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -34.64 72.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.527 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.463 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 14.0 t -73.48 -29.78 62.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.548 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -69.0 -40.1 78.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -43.0 60.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.617 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -43.84 -37.23 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 19' ' ' CYS . 6.5 m170 -81.22 -49.23 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.59 18.65 6.85 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -50.09 -40.66 46.41 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.16 -0.216 . . . . 0.0 110.537 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.102 -1.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.768 0.318 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.11 -53.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.566 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -56.0 -83.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.553 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -69.97 -4.88 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.623 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -83.38 -35.11 25.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.661 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t -99.15 -28.78 13.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 t -42.81 160.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.08 -98.4 2.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.26 -60.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 110.575 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.98 -12.57 15.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -106.88 145.15 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 m -148.25 -33.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 11.4 mptt -59.48 -16.62 25.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -64.09 -37.99 89.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.731 -179.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -107.91 -33.88 7.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.711 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -44.59 83.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -54.41 -49.5 69.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.686 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' OE2' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -60.72 -40.55 92.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.598 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -70.2 -29.58 66.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -47.05 31.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.587 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' GLY . 8.4 mmm180 -60.72 -62.11 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.693 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -50.51 -26.83 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.551 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 2.0 m80 -86.46 15.13 5.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.471 ' C ' ' HN1' ' A' ' 26' ' ' NH2 . . . -79.38 17.43 8.06 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.455 ' HD1' ' H ' ' A' ' 25' ' ' HIS . 8.4 p-80 -70.99 28.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.154 -0.218 . . . . 0.0 110.545 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . 0.471 ' HN1' ' C ' ' A' ' 24' ' ' GLY . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.952 -1.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.826 0.346 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -157.47 -11.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.54 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -90.52 -60.68 1.86 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.672 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -0.62 20.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.668 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -110.33 18.05 20.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.441 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t -141.97 -30.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.673 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.94 140.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.611 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.57 -119.76 1.94 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -83.54 86.75 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.611 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.705 ' H ' ' HE ' ' A' ' 10' ' ' ARG . 2.9 mmp_? 52.02 22.73 1.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -133.0 155.9 48.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.6 m -155.36 -28.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -71.95 2.61 5.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.572 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -68.42 -38.9 81.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.681 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.74 -28.19 2.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.5 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.8 ttp -52.35 -44.13 65.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.502 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -54.83 -59.08 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.707 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -56.13 -32.5 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 t -74.96 -36.56 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.19 -37.5 83.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.481 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -75.98 -40.97 52.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.05 -42.64 76.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -67.98 -2.46 7.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.637 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.63 15.86 22.72 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -58.9 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.65 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.074 -1.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.789 0.328 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -147.61 -39.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 179.788 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.618 ' CG ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -45.97 -96.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.623 179.795 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.618 ' H ' ' CG ' ' A' ' 3' ' ' LYS . 4.5 ptpt -81.26 3.76 22.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.525 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -107.19 79.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.514 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -172.74 -37.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 p -40.63 141.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -111.46 -43.92 0.95 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 170.61 -61.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -109.92 3.57 20.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -139.65 138.67 36.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.0 m -143.44 -23.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.566 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -71.36 -0.21 9.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.528 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -65.34 -44.15 88.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.56 -30.99 4.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.569 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.6 tpt -51.71 -42.62 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.633 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -59.43 -55.14 38.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.476 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' CD ' ' N ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -53.8 -36.22 62.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.584 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -39.17 68.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.441 HD21 ' C ' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -60.87 -31.61 71.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 179.86 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -42.52 25.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.507 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -69.81 -45.43 67.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.506 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -76.43 -17.26 59.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.03 25.23 22.96 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -89.81 -52.25 5.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.535 0.207 . . . . 0.0 110.551 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.04 -1.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.794 0.33 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.3 t -158.78 -38.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.604 ' CG ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -63.32 -108.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.604 ' H ' ' CG ' ' A' ' 3' ' ' LYS . 17.6 mttt -60.09 -21.53 61.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.74 -18.79 56.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.643 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 2.7 t -77.81 -17.54 57.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.624 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -54.87 115.87 2.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.24 -120.36 4.75 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -120.72 116.23 24.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.874 0.368 . . . . 0.0 110.627 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.6 mtm-85 56.84 20.91 5.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -151.7 145.54 25.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.453 ' C ' ' H ' ' A' ' 14' ' ' LYS . 31.7 m -143.08 -31.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.567 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -64.73 0.35 1.17 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.605 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' H ' ' C ' ' A' ' 12' ' ' THR . 10.3 tptt -53.5 -54.05 42.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.686 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -135.1 -10.2 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.724 -179.767 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.488 ' O ' ' SD ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -46.36 -51.11 15.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -43.64 49.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.473 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 mmtm -62.8 -10.13 11.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.66 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.1 t -104.51 -46.64 4.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.06 -30.85 38.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.58 -23.36 16.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.518 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -90.34 -58.06 2.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.722 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -61.17 -12.99 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.557 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.11 -6.93 84.14 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -84.36 -30.72 25.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.588 0.232 . . . . 0.0 110.629 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.295 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.743 0.306 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.21 -45.49 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.531 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.476 ' C ' ' H ' ' A' ' 5' ' ' GLU . 15.9 mtmm -53.39 111.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.517 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 tptp 72.67 -41.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.7 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' A' ' 3' ' ' LYS . 1.4 mt-10 -66.71 -146.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.598 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 60.93 4.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.639 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.446 ' H ' ' C ' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -78.79 106.3 10.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.1 -113.0 3.01 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.17 92.18 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.702 0.287 . . . . 0.0 110.572 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 56.12 23.17 6.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -139.89 141.77 36.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.2 m -149.34 -23.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -78.2 3.41 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.629 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -73.53 -33.24 64.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.18 -32.18 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.648 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.5 ttt -53.12 -39.58 63.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -58.25 -48.59 79.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.701 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 18' ' ' LYS . 11.9 mptt -59.64 -36.94 77.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.4 m -71.99 -34.62 69.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.519 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.77 -39.83 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.461 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -44.93 73.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.492 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.489 ' C ' ' H ' ' A' ' 24' ' ' GLY . 10.5 mt-10 -63.46 -56.0 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.29 8.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.598 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' H ' ' C ' ' A' ' 22' ' ' GLU . . . -94.47 -4.72 62.21 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.74 124.72 14.64 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.623 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.741 0.305 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.7 t -142.49 -13.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.523 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -91.24 -62.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.428 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -76.94 -27.83 55.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.17 22.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.429 ' H ' ' C ' ' A' ' 4' ' ' LYS . 2.2 t -147.47 -39.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.501 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.8 p -47.38 158.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.34 -78.4 1.41 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -141.7 -50.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.716 0.293 . . . . 0.0 110.559 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -131.17 12.48 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.465 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.492 ' C ' ' HG1' ' A' ' 12' ' ' THR . 2.4 tpp85 -134.77 156.1 49.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.584 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.492 ' HG1' ' C ' ' A' ' 11' ' ' ARG . 11.9 m -157.92 -31.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -45.56 -26.28 0.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.518 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 18.4 pttm -65.34 -41.06 94.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.613 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 34.5 t -101.13 -16.41 17.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.4 ttm -71.89 -37.35 70.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.579 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.645 HE21 ' CA ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -64.57 -34.51 78.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.518 ' NZ ' ' O ' ' A' ' 14' ' ' LYS . 16.3 mmtm -71.16 -43.74 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.582 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 t -74.53 -19.67 60.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.512 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -80.21 -42.54 23.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -70.42 -46.31 64.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -62.43 -52.07 65.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.446 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -88.05 16.61 5.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.7 -2.66 90.61 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -86.44 100.93 12.7 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.596 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.832 0.349 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 t -160.4 -76.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.633 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.499 ' C ' ' H ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -58.58 -72.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.475 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -64.03 1.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 3' ' ' LYS . 1.2 tp10 -100.5 -42.55 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.555 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -25.98 25.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.629 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 t -41.74 152.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.31 -105.2 3.01 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.8 m -121.3 -41.36 2.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.634 0.254 . . . . 0.0 110.65 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.09 9.09 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.745 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -124.18 135.05 53.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.655 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 14' ' ' LYS . 6.3 m -159.79 -13.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.56 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.51 1.74 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.772 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 12' ' ' THR . 7.1 tttm -92.03 -74.89 0.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.733 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.3 m -60.64 -34.71 74.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.9 ttt -58.41 -55.12 39.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.506 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.9 -43.26 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.616 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.16 -43.1 99.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -29.97 64.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.417 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -65.15 -40.23 94.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.549 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -71.02 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.73 -17.09 64.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.22 -34.74 28.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.675 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.37 -7.34 79.7 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -67.57 -57.55 6.26 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.075 -1.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.827 0.346 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.83 -28.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.513 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.481 ' C ' ' H ' ' A' ' 5' ' ' GLU . 26.9 mttt -70.08 105.66 2.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.588 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.97 1.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.628 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 3' ' ' LYS . 18.9 mm-40 -99.64 -50.36 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.552 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.475 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 1.4 t -64.49 -17.08 63.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.3 t -41.31 154.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.577 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.24 -103.71 2.47 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -111.2 -26.03 9.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.564 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.01 -8.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.563 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.54 ' C ' ' HG1' ' A' ' 12' ' ' THR . 21.7 ttm105 -103.89 152.42 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.54 ' HG1' ' C ' ' A' ' 11' ' ' ARG . 87.6 m -157.21 -29.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.603 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -47.06 -15.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.545 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 12' ' ' THR . 10.0 tttm -68.31 -68.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -37.46 68.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.523 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.9 tpt -52.99 -56.99 11.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.578 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -43.26 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -35.79 77.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.54 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.89 -38.86 66.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.588 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.403 HD21 ' C ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -60.41 -35.17 75.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 24' ' ' GLY . 3.3 ttp180 -77.89 -50.21 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.499 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -47.54 -29.75 3.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.523 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -78.26 -28.17 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.577 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . -102.39 20.23 45.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -80.74 153.37 27.85 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.55 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.001 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.482 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 32.2 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.733 0.301 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' GLU . 18.9 m -159.5 -102.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.638 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 2' ' ' CYS . 6.8 mmtp 37.29 -96.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 6' ' ' CYS . 1.6 tptt -118.42 -2.16 11.13 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.471 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' CYS . 0.2 OUTLIER -68.07 1.24 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.529 -179.83 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.419 ' H ' ' C ' ' A' ' 4' ' ' LYS . 29.3 p -121.41 23.69 10.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.594 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 p -63.75 123.07 17.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.479 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.49 -111.04 3.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 11' ' ' ARG . 2.4 p -109.68 98.59 7.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.725 0.297 . . . . 0.0 110.508 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 51.16 13.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.567 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.466 ' C ' ' HG1' ' A' ' 12' ' ' THR . 11.2 ttm180 -128.63 149.89 50.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.466 ' HG1' ' C ' ' A' ' 11' ' ' ARG . 10.7 m -167.46 -24.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.219 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -56.43 -18.35 10.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -67.21 -70.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.476 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -41.2 97.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.694 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -61.56 2.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -43.03 76.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.715 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -61.4 -42.46 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.1 m -73.38 -35.86 65.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.63 -38.19 90.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -47.69 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -59.99 -14.8 17.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.568 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -87.43 13.15 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.61 21.97 12.52 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.54 -25.69 41.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.524 0.202 . . . . 0.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 120.001 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.864 0.364 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.474 ' C ' ' H ' ' A' ' 4' ' ' LYS . 6.5 p -160.07 -50.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.616 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -50.32 -13.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.548 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -139.02 -11.42 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.576 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.523 ' C ' ' H ' ' A' ' 7' ' ' SER . 33.4 mt-10 -105.73 -168.17 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.501 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.6 t 57.52 4.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.554 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.523 ' H ' ' C ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -64.84 115.68 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.481 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -105.02 -123.16 5.19 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 11' ' ' ARG . 10.4 m -66.8 71.04 0.08 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.904 0.383 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER 54.74 7.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.618 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.591 HH11 ' HZ1' ' A' ' 14' ' ' LYS . 29.6 ttm180 -102.77 151.24 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.433 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.489 ' HG1' ' C ' ' A' ' 11' ' ' ARG . 31.2 m -152.26 -29.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.566 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -42.01 -24.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.384 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.591 ' HZ1' HH11 ' A' ' 11' ' ' ARG . 1.1 tppm? -67.24 -65.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.06 0.457 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.05 -44.36 69.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.498 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -48.24 -52.74 19.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -62.33 -48.07 81.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.503 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -62.19 -21.95 65.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -90.83 -44.14 9.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.404 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -59.64 -27.1 66.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.527 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -22.97 66.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' C ' ' H ' ' A' ' 24' ' ' GLY . 85.9 mt-10 -84.71 19.41 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.444 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.452 ' HD1' ' N ' ' A' ' 24' ' ' GLY . 1.7 p80 -57.43 -10.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.52 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.452 ' N ' ' HD1' ' A' ' 23' ' ' HIS . . . -96.48 19.44 54.6 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 7.8 t60 -55.67 -14.65 2.33 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.547 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.037 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 0.0 110.564 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.85 -36.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.566 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -70.22 125.4 26.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.66 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.4 mttp 51.26 16.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -123.71 -2.72 8.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.751 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.2 t -112.31 -15.5 13.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.669 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -42.99 134.18 3.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.78 -102.97 1.0 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -116.58 -10.15 11.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.757 0.313 . . . . 0.0 110.642 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -175.63 -4.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.652 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 tpp85 -107.25 144.45 34.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 14' ' ' LYS . 16.3 m -139.22 -26.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.612 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -72.33 6.01 2.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.735 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 61.9 tttp -75.15 -49.36 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.532 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -106.8 -30.85 8.67 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.7 tpt -59.47 -39.32 83.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.688 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -56.01 -47.76 77.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.775 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' A' ' 14' ' ' LYS . 2.5 mmtm -65.68 -36.4 83.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.441 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.0 m -72.72 -35.84 67.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.15 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -45.03 96.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.442 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -45.24 68.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.437 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -62.29 -46.82 87.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.444 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -89.68 17.6 6.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.543 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.35 3.95 5.17 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -54.89 137.7 44.84 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.759 0.314 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 13.3 t -155.62 -18.61 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.88 -71.75 0.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.444 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.33 52.08 1.02 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.562 ' CD ' ' H ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -90.03 -99.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.53 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.562 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 52.5 m -68.18 7.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.698 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.495 ' H ' ' C ' ' A' ' 5' ' ' GLU . 18.8 p -48.44 106.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.491 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.79 -115.82 3.04 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -119.31 -20.62 7.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.3 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.98 -6.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.676 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -112.24 156.45 22.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 14' ' ' LYS . 85.5 m -165.51 -27.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -70.26 4.06 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.477 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' H ' ' C ' ' A' ' 12' ' ' THR . 41.4 tttt -67.2 -46.39 74.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.777 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 m -122.26 -20.61 6.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.652 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' ASN . 16.1 ttt -64.61 -37.12 86.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -55.46 -57.71 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.716 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -56.23 -37.91 70.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.455 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.9 t -75.4 -28.95 59.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' MET . 1.8 t-20 -76.67 -33.11 58.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.42 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -77.44 -45.06 26.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' A' ' 24' ' ' GLY . 10.7 mt-10 -84.1 15.78 3.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.585 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.14 2.28 0.58 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 22' ' ' GLU . . . -80.09 9.13 48.42 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.449 ' ND1' ' C ' ' A' ' 25' ' ' HIS . 5.0 p80 -55.25 154.74 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.522 0.201 . . . . 0.0 110.535 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.983 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.567 ' SG ' ' NH1' ' A' ' 11' ' ' ARG . 35.0 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.737 0.303 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.4 p -42.44 135.67 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.85 -109.3 3.39 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 p -106.96 -43.96 4.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.757 0.313 . . . . 0.0 110.619 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -136.44 0.88 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.567 ' NH1' ' SG ' ' A' ' 6' ' ' CYS . 1.3 tmm_? -104.11 136.35 43.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -168.47 -23.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.568 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -60.03 -20.78 59.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.653 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -76.61 -64.28 1.15 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -33.0 74.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.479 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.5 ttp -62.84 -53.62 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.524 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -56.98 -39.72 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -62.24 -43.1 99.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.591 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.481 ' SG ' ' NE2' ' A' ' 23' ' ' HIS . 4.2 t -72.5 -32.49 66.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.353 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.06 -40.05 90.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.601 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -43.24 62.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.626 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.77 -35.76 80.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.481 ' NE2' ' SG ' ' A' ' 19' ' ' CYS . 5.9 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.494 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.881 0.372 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 91.1 p -85.23 134.96 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -120.16 -97.47 1.65 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.5 t -115.37 -58.52 2.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.678 0.275 . . . . 0.0 110.567 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -129.44 26.62 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.608 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -141.19 126.81 18.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.576 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.7 m -160.25 -23.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -75.58 -16.55 60.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.661 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.26 -24.42 66.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.487 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -126.37 -38.47 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.446 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 3.0 ttm -61.95 -31.44 71.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.657 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -77.48 -29.98 52.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -78.49 -32.81 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.5 m -81.51 -38.63 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.433 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -49.34 -34.39 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.561 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -87.24 -56.31 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.647 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.29 -39.77 57.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.755 0.312 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 t -41.66 155.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.35 -97.64 0.97 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -122.79 -17.7 6.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.567 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -165.75 -12.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.496 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -101.8 143.75 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' LYS . 52.0 m -147.41 -29.27 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 13' ' ' LYS . 37.4 mttp -40.17 -24.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.654 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' THR . 36.3 tttt -71.38 -68.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.652 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -35.03 79.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.576 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.465 ' HB2' HG22 ' A' ' 12' ' ' THR . 1.9 ttt -55.19 -60.57 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -53.14 -45.67 68.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.666 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -61.47 -44.7 96.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.647 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.2 t -74.01 -21.95 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -75.92 -41.48 51.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -40.47 66.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.49 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.39 -1.4 18.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.51 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.466 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 44.4 t . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.754 0.312 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.09 139.1 35.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.93 -119.74 2.41 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.98 98.08 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.588 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 55.58 25.24 7.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -143.96 132.75 22.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 m -161.96 -26.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.692 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -71.49 1.25 6.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.631 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 tptm -80.06 -54.74 5.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.631 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 p -90.63 -32.84 16.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.649 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -60.83 -42.95 98.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.49 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -47.9 -65.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.492 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -52.89 -38.43 61.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.365 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 t -72.94 -25.48 61.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 16' ' ' MET . 24.8 t30 -74.91 -29.64 61.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.676 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -86.35 -37.49 18.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.673 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.22 -41.29 85.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.687 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 7' ' ' SER . 7.9 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.78 0.324 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 71.4 p -52.86 173.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.385 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.95 -88.29 0.6 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.7 m -151.15 -42.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.525 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 -115.91 8.42 14.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' CA ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -144.11 155.1 43.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.1 m -168.01 -22.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 0.12 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.627 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -75.98 -29.0 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.79 -32.88 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.72 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' ASN . 51.4 ttp -56.39 -37.89 70.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -51.86 -61.31 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.624 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -34.36 73.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.426 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.6 -20.54 59.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.408 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' MET . 16.1 t-20 -77.17 -37.94 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.427 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -36.61 66.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.411 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.56 -29.02 68.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.391 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.448 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.549 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.2 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.884 0.373 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.44 113.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.59 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.8 -103.48 1.7 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 60.7 p -129.15 -64.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.603 0.24 . . . . 0.0 110.588 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.46 ' N ' ' OG ' ' A' ' 9' ' ' SER . 14.0 mmp_? -106.15 19.39 20.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.529 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.26 156.71 37.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.0 m -167.82 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.53 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 4.47 9.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.534 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -73.61 -32.05 63.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.794 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.66 -24.95 1.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.672 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' ASN . 8.0 ttt -60.03 -32.3 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.561 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -54.46 -57.43 11.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.009 0.433 . . . . 0.0 110.41 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -39.15 87.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.513 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -19.74 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' MET . 14.3 t-20 -78.02 -31.98 50.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.599 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -85.84 -36.22 20.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -79.33 6.7 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.627 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.789 0.328 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 m -48.59 138.13 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.58 -122.18 4.16 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 p -105.64 -59.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.518 0.199 . . . . 0.0 110.658 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -119.83 12.48 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.734 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -134.53 153.47 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.387 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.518 ' C ' ' H ' ' A' ' 14' ' ' LYS . 18.8 m -152.7 -29.36 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -64.27 5.44 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.65 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 12' ' ' THR . 0.8 OUTLIER -63.23 -57.62 9.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.578 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 -15.76 11.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.612 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -61.46 -49.03 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.489 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -54.15 -52.64 60.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -42.8 94.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -75.6 -14.41 60.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' MET . 3.9 t30 -90.4 -33.1 16.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.694 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -49.33 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.684 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.87 -11.73 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.717 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.474 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.834 0.349 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.96 146.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.93 -99.66 0.43 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.462 ' C ' ' N ' ' A' ' 11' ' ' ARG . 32.8 t -99.12 90.06 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.549 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 50.89 10.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.462 ' N ' ' C ' ' A' ' 9' ' ' SER . 6.1 ttm180 -119.51 166.58 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.1 m -164.91 -27.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.99 1.53 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -72.65 -35.35 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 -32.35 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.587 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 16' ' ' MET . 10.8 tmm? -58.47 -29.19 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -63.96 -55.42 22.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -34.64 72.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.527 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.0 t -73.48 -29.78 62.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.548 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -69.0 -40.1 78.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -43.0 60.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.617 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -43.84 -37.23 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.825 0.345 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 t -42.81 160.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.08 -98.4 2.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.26 -60.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 110.575 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.98 -12.57 15.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -106.88 145.15 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.497 HG22 ' HB2' ' A' ' 16' ' ' MET . 35.6 m -148.25 -33.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 11.4 mptt -59.48 -16.62 25.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -64.09 -37.99 89.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.731 -179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -107.91 -33.88 7.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.711 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.497 ' HB2' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -57.08 -44.59 83.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -54.41 -49.5 69.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.686 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' OE2' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -60.72 -40.55 92.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.598 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -70.2 -29.58 66.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -47.05 31.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.587 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -60.72 -62.11 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.693 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.539 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -50.51 -26.83 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.551 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 2.0 m80 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.94 140.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.611 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.57 -119.76 1.94 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -83.54 86.75 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.611 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.768 ' HE ' ' H ' ' A' ' 10' ' ' ARG . 2.9 mmp_? 52.02 22.73 1.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -133.0 155.9 48.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.6 m -155.36 -28.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -71.95 2.61 5.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.572 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -68.42 -38.9 81.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.681 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.74 -28.19 2.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.5 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.8 ttp -52.35 -44.13 65.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.502 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -54.83 -59.08 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.707 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -56.13 -32.5 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 t -74.96 -36.56 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.19 -37.5 83.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.481 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -75.98 -40.97 52.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.05 -42.64 76.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.4 t60 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.637 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.797 0.332 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 p -40.63 141.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -111.46 -43.92 0.95 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 170.61 -61.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -109.92 3.57 20.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -139.65 138.67 36.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 16' ' ' MET . 89.0 m -143.44 -23.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.566 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -71.36 -0.21 9.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.528 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -65.34 -44.15 88.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.56 -30.99 4.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.569 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.4 ' HB2' HG22 ' A' ' 12' ' ' THR . 6.6 tpt -51.71 -42.62 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.633 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -59.43 -55.14 38.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.476 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HD3' ' H ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -53.8 -36.22 62.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.584 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -39.17 68.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.462 HD22 ' C ' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -60.87 -31.61 71.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 179.86 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -42.52 25.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.507 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -69.81 -45.43 67.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.506 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 -179.922 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 2.7 t . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.816 0.341 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -54.87 115.87 2.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.24 -120.36 4.75 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -120.72 116.23 24.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.874 0.368 . . . . 0.0 110.627 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.6 mtm-85 56.84 20.91 5.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -151.7 145.54 25.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 14' ' ' LYS . 31.7 m -143.08 -31.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.567 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -64.73 0.35 1.17 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.605 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 12' ' ' THR . 10.3 tptt -53.5 -54.05 42.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.686 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -135.1 -10.2 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.724 -179.767 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -46.36 -51.11 15.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -75.32 -43.64 49.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.473 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 mmtm -62.8 -10.13 11.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.66 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.1 t -104.51 -46.64 4.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -53.06 -30.85 38.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.49 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.58 -23.36 16.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.518 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -90.34 -58.06 2.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.722 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.557 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.79 106.3 10.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.1 -113.0 3.01 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.17 92.18 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.702 0.287 . . . . 0.0 110.572 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 56.12 23.17 6.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -139.89 141.77 36.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.2 m -149.34 -23.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -78.2 3.41 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.629 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -73.53 -33.24 64.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.18 -32.18 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.648 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.5 ttt -53.12 -39.58 63.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -58.25 -48.59 79.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.701 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 11.9 mptt -59.64 -36.94 77.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.4 m -71.99 -34.62 69.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.519 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -65.77 -39.83 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.461 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -44.93 73.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.492 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -63.46 -56.0 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.598 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.8 p -47.38 158.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.34 -78.4 1.41 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -141.7 -50.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.716 0.293 . . . . 0.0 110.559 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -131.17 12.48 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.465 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tpp85 -134.77 156.1 49.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.584 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -157.92 -31.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -45.56 -26.28 0.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 18.4 pttm -65.34 -41.06 94.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.613 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 34.5 t -101.13 -16.41 17.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.4 ttm -71.89 -37.35 70.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.579 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -34.51 78.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 14' ' ' LYS . 16.3 mmtm -71.16 -43.74 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.582 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 t -74.53 -19.67 60.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.512 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -80.21 -42.54 23.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -70.42 -46.31 64.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -62.43 -52.07 65.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.446 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.767 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.862 0.363 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 t -41.74 152.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.31 -105.2 3.01 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.8 m -121.3 -41.36 2.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.634 0.254 . . . . 0.0 110.65 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.09 9.09 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.745 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -124.18 135.05 53.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.655 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 12' ' ' THR . 6.3 m -159.79 -13.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.56 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.51 1.74 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.772 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -92.03 -74.89 0.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.733 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.3 m -60.64 -34.71 74.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.9 ttt -58.41 -55.12 39.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.506 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -43.26 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.616 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.16 -43.1 99.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -29.97 64.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.417 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -65.15 -40.23 94.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.549 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -71.02 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.73 -17.09 64.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.675 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.475 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 1.4 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.77 0.319 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.3 t -41.31 154.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.577 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.24 -103.71 2.47 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -111.2 -26.03 9.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.564 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.413 ' H ' ' H ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -159.01 -8.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.563 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' H ' ' H ' ' A' ' 10' ' ' ARG . 21.7 ttm105 -103.89 152.42 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.461 HG22 ' HB2' ' A' ' 16' ' ' MET . 87.6 m -157.21 -29.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.603 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -47.06 -15.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.545 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 12' ' ' THR . 10.0 tttm -68.31 -68.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -37.46 68.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.523 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.461 ' HB2' HG22 ' A' ' 12' ' ' THR . 3.9 tpt -52.99 -56.99 11.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.578 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -61.66 -43.26 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -35.79 77.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.54 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.89 -38.86 66.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.588 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.432 HD22 ' C ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -60.41 -35.17 75.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -77.89 -50.21 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.499 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -47.54 -29.75 3.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.523 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.577 179.565 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.775 0.322 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 p -63.75 123.07 17.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.479 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.49 -111.04 3.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.425 ' C ' ' N ' ' A' ' 11' ' ' ARG . 2.4 p -109.68 98.59 7.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.725 0.297 . . . . 0.0 110.508 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 51.16 13.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.567 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 9' ' ' SER . 11.2 ttm180 -128.63 149.89 50.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 m -167.46 -24.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.219 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -56.43 -18.35 10.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -67.21 -70.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.476 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -41.2 97.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.694 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -61.56 2.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -43.03 76.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.715 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -61.4 -42.46 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.1 m -73.38 -35.86 65.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.63 -38.19 90.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -47.69 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -59.99 -14.8 17.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.568 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.4 m80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.543 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.6 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.78 0.324 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.84 115.68 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.481 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -105.02 -123.16 5.19 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 11' ' ' ARG . 10.4 m -66.8 71.04 0.08 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.904 0.383 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER 54.74 7.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.618 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 9' ' ' SER . 29.6 ttm180 -102.77 151.24 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.433 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.561 HG22 ' HB2' ' A' ' 16' ' ' MET . 31.2 m -152.26 -29.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.566 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -42.01 -24.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.384 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 12' ' ' THR . 1.1 tppm? -67.24 -65.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.06 0.457 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.05 -44.36 69.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.498 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.561 ' HB2' HG22 ' A' ' 12' ' ' THR . 0.9 OUTLIER -48.24 -52.74 19.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -62.33 -48.07 81.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.503 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -62.19 -21.95 65.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -90.83 -44.14 9.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.404 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -59.64 -27.1 66.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.527 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -22.97 66.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -84.71 19.41 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.444 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 p80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.52 -179.92 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.801 0.334 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -42.99 134.18 3.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.78 -102.97 1.0 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -116.58 -10.15 11.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.757 0.313 . . . . 0.0 110.642 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.425 ' H ' ' H ' ' A' ' 11' ' ' ARG . 8.0 ptp180 -175.63 -4.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.652 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' H ' ' H ' ' A' ' 10' ' ' ARG . 3.5 tpp85 -107.25 144.45 34.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.3 m -139.22 -26.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.612 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -72.33 6.01 2.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.735 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 61.9 tttp -75.15 -49.36 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.532 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -106.8 -30.85 8.67 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.7 tpt -59.47 -39.32 83.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.688 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -56.01 -47.76 77.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.775 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' A' ' 14' ' ' LYS . 2.5 mmtm -65.68 -36.4 83.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.441 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.0 m -72.72 -35.84 67.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.15 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -45.03 96.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.442 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -45.24 68.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.437 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -62.29 -46.82 87.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.444 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.543 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.5 m . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.811 0.339 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.8 p -48.44 106.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.491 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.79 -115.82 3.04 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -119.31 -20.62 7.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.3 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.98 -6.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.676 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -112.24 156.45 22.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 14' ' ' LYS . 85.5 m -165.51 -27.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -70.26 4.06 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.477 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 12' ' ' THR . 41.4 tttt -67.2 -46.39 74.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.777 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 m -122.26 -20.61 6.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.652 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' ASN . 16.1 ttt -64.61 -37.12 86.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -55.46 -57.71 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.716 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -56.23 -37.91 70.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.455 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.9 t -75.4 -28.95 59.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' MET . 37.3 t30 -76.67 -33.11 58.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.42 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -77.44 -45.06 26.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -84.1 15.78 3.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.585 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.795 0.331 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.9 p -155.21 -27.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -89.91 -49.71 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.519 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -79.76 -21.5 44.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.646 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -81.99 14.93 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.567 ' SG ' ' NH1' ' A' ' 11' ' ' ARG . 35.0 t -146.64 -40.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.472 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.4 p -42.44 135.67 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.85 -109.3 3.39 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 p -106.96 -43.96 4.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.757 0.313 . . . . 0.0 110.619 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -136.44 0.88 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.567 ' NH1' ' SG ' ' A' ' 6' ' ' CYS . 1.3 tmm_? -104.11 136.35 43.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -168.47 -23.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.568 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -60.03 -20.78 59.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.653 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -76.61 -64.28 1.15 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -33.0 74.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.479 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.5 ttp -62.84 -53.62 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.524 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -56.98 -39.72 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -62.24 -43.1 99.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.591 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.481 ' SG ' ' NE2' ' A' ' 23' ' ' HIS . 4.2 t -72.5 -32.49 66.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.353 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.06 -40.05 90.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.601 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -43.24 62.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.626 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.77 -35.76 80.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.481 ' NE2' ' SG ' ' A' ' 19' ' ' CYS . 5.9 m-70 -81.85 6.11 16.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.494 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.03 11.53 54.04 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.575 ' ND1' ' N ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -58.37 -104.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.557 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.065 -1.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.883 0.373 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.5 p -144.59 -12.99 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.598 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 5' ' ' GLU . 21.9 tttp -68.84 103.03 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.526 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' C ' ' H ' ' A' ' 6' ' ' CYS . 3.0 ttmt 73.34 -16.71 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.496 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 3' ' ' LYS . 2.5 mt-10 -75.85 18.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.446 ' H ' ' C ' ' A' ' 4' ' ' LYS . 26.3 p -138.45 11.1 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.465 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 91.1 p -85.23 134.96 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -120.16 -97.47 1.65 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.5 t -115.37 -58.52 2.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.678 0.275 . . . . 0.0 110.567 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -129.44 26.62 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.608 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -141.19 126.81 18.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.576 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.7 m -160.25 -23.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -75.58 -16.55 60.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.661 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.26 -24.42 66.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.487 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -126.37 -38.47 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.446 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 3.0 ttm -61.95 -31.44 71.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.657 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -77.48 -29.98 52.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -78.49 -32.81 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.5 m -81.51 -38.63 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.433 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -49.34 -34.39 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.561 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -87.24 -56.31 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.647 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.29 -39.77 57.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.33 5.31 35.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.21 -18.86 58.44 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.532 ' ND1' ' N ' ' A' ' 26' ' ' NH2 . 20.8 t-80 -41.13 144.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.164 -0.214 . . . . 0.0 110.64 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . 0.532 ' N ' ' ND1' ' A' ' 25' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.037 -1.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.799 0.333 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 p -158.28 -21.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.513 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -82.21 -56.93 3.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -8.56 59.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.622 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -92.36 16.77 10.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 t -151.55 -27.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.57 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 t -41.66 155.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.35 -97.64 0.97 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -122.79 -17.7 6.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.567 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -165.75 -12.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.496 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -101.8 143.75 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' LYS . 52.0 m -147.41 -29.27 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 13' ' ' LYS . 37.4 mttp -40.17 -24.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.654 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' THR . 36.3 tttt -71.38 -68.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.652 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -35.03 79.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.576 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.465 ' HB2' HG22 ' A' ' 12' ' ' THR . 1.9 ttt -55.19 -60.57 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -53.14 -45.67 68.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.666 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -61.47 -44.7 96.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.647 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.2 t -74.01 -21.95 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -75.92 -41.48 51.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -40.47 66.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.49 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.39 -1.4 18.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.65 -7.36 59.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.51 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.26 16.27 13.9 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.1 150.74 45.18 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.549 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.074 -1.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.732 0.301 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.412 ' H ' ' H ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -158.62 -19.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 5' ' ' GLU . 27.6 mttm -70.14 118.49 13.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.606 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 mttt 60.29 2.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.673 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' A' ' 3' ' ' LYS . 2.7 mt-10 -105.64 -141.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.47 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.466 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 44.4 t 43.99 20.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.528 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' GLU . 0.6 OUTLIER -81.09 139.1 35.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.93 -119.74 2.41 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.98 98.08 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.588 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 55.58 25.24 7.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -143.96 132.75 22.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 m -161.96 -26.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.692 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -71.49 1.25 6.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.631 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 tptm -80.06 -54.74 5.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.631 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 p -90.63 -32.84 16.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.649 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -60.83 -42.95 98.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.49 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -47.9 -65.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.492 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -52.89 -38.43 61.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.365 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 t -72.94 -25.48 61.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 16' ' ' MET . 24.8 t30 -74.91 -29.64 61.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.676 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -86.35 -37.49 18.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.673 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.22 -41.29 85.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.687 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -90.23 14.77 11.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.13 8.9 75.61 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -52.79 -58.41 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.483 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 120.056 -1.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.924 0.392 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.17 -25.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.39 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -79.08 -55.61 4.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.687 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -86.46 1.57 50.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -103.91 3.18 33.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.764 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 7' ' ' SER . 7.9 p -133.53 -37.69 0.94 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 71.4 p -52.86 173.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.385 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.95 -88.29 0.6 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.7 m -151.15 -42.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.525 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 -115.91 8.42 14.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' CA ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -144.11 155.1 43.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.1 m -168.01 -22.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 0.12 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.627 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -75.98 -29.0 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.79 -32.88 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.72 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' ASN . 51.4 ttp -56.39 -37.89 70.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -51.86 -61.31 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.624 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -34.36 73.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.426 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.6 -20.54 59.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.408 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' MET . 16.1 t-20 -77.17 -37.94 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.427 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -36.61 66.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.411 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.56 -29.02 68.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.391 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.448 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -89.17 -8.34 53.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.549 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.29 -3.85 58.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.32 -63.12 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.174 -0.21 . . . . 0.0 110.608 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.032 -1.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.7 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.679 0.276 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.2 t -134.58 -36.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.561 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -68.57 -66.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -63.79 -30.55 71.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.67 -51.49 67.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.638 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.2 m -65.66 -45.02 84.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.44 113.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.59 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.8 -103.48 1.7 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 60.7 p -129.15 -64.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.603 0.24 . . . . 0.0 110.588 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.46 ' N ' ' OG ' ' A' ' 9' ' ' SER . 14.0 mmp_? -106.15 19.39 20.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.529 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.26 156.71 37.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.0 m -167.82 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.53 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 4.47 9.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.534 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -73.61 -32.05 63.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.794 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.66 -24.95 1.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.672 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' ASN . 8.0 ttt -60.03 -32.3 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.561 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -54.46 -57.43 11.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.009 0.433 . . . . 0.0 110.41 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -39.15 87.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.513 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -19.74 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' MET . 14.3 t-20 -78.02 -31.98 50.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.599 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -85.84 -36.22 20.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -79.33 6.7 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.627 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.39 -21.58 62.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.9 20.59 50.01 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.427 ' ND1' ' C ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -59.56 -62.45 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.656 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.006 -1.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.1 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.834 0.35 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' H ' ' H ' ' A' ' 3' ' ' LYS . 5.1 p -157.22 -4.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.543 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' C ' ' H ' ' A' ' 5' ' ' GLU . 1.1 tptp -75.29 85.38 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 tttt 71.93 -8.27 1.15 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 3' ' ' LYS . 4.8 mt-10 -73.62 2.34 8.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.689 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.3 p -114.37 3.99 15.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.551 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 m -48.59 138.13 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.58 -122.18 4.16 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 p -105.64 -59.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.518 0.199 . . . . 0.0 110.658 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -119.83 12.48 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.734 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -134.53 153.47 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.387 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.518 ' C ' ' H ' ' A' ' 14' ' ' LYS . 18.8 m -152.7 -29.36 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -64.27 5.44 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.65 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 12' ' ' THR . 0.8 OUTLIER -63.23 -57.62 9.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.578 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 -15.76 11.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.612 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -61.46 -49.03 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.489 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -54.15 -52.64 60.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -42.8 94.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -75.6 -14.41 60.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' MET . 3.9 t30 -90.4 -33.1 16.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.694 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -49.33 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.684 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.87 -11.73 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.717 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.474 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -73.24 -13.22 61.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.14 6.03 84.07 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -41.59 -42.38 2.44 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.643 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.002 -1.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.806 0.336 . . . . 0.0 110.56 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m -154.07 -1.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.549 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -101.93 -70.7 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.545 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -77.26 -0.46 25.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.511 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -101.96 -7.02 22.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.571 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.15 -27.59 5.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.569 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.96 146.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.93 -99.66 0.43 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.462 ' C ' ' N ' ' A' ' 11' ' ' ARG . 32.8 t -99.12 90.06 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.549 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 50.89 10.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.462 ' N ' ' C ' ' A' ' 9' ' ' SER . 6.1 ttm180 -119.51 166.58 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.1 m -164.91 -27.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.99 1.53 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -72.65 -35.35 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 -32.35 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.587 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 16' ' ' MET . 10.8 tmm? -58.47 -29.19 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -63.96 -55.42 22.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -34.64 72.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.527 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.0 t -73.48 -29.78 62.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.548 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -69.0 -40.1 78.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -43.0 60.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.617 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -43.84 -37.23 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -81.22 -49.23 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.59 18.65 6.85 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -50.09 -40.66 46.41 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.16 -0.216 . . . . 0.0 110.537 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.102 -1.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.768 0.318 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.11 -53.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.566 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -56.0 -83.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.553 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -69.97 -4.88 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.623 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -83.38 -35.11 25.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.661 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t -99.15 -28.78 13.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 t -42.81 160.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.08 -98.4 2.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.26 -60.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 110.575 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.98 -12.57 15.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -106.88 145.15 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.497 HG22 ' HB2' ' A' ' 16' ' ' MET . 35.6 m -148.25 -33.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 11.4 mptt -59.48 -16.62 25.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -64.09 -37.99 89.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.731 -179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -107.91 -33.88 7.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.711 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.497 ' HB2' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -57.08 -44.59 83.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -54.41 -49.5 69.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.686 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' OE2' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -60.72 -40.55 92.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.598 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -70.2 -29.58 66.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -47.05 31.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.587 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' GLY . 8.4 mmm180 -60.72 -62.11 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.693 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.539 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -50.51 -26.83 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.551 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 2.0 m80 -86.46 15.13 5.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . -79.38 17.43 8.06 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -70.99 28.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.154 -0.218 . . . . 0.0 110.545 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.952 -1.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.826 0.346 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -157.47 -11.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.54 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -90.52 -60.68 1.86 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.672 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -0.62 20.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.668 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -110.33 18.05 20.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.441 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t -141.97 -30.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.673 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.94 140.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.611 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.57 -119.76 1.94 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -83.54 86.75 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.611 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.768 ' HE ' ' H ' ' A' ' 10' ' ' ARG . 2.9 mmp_? 52.02 22.73 1.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -133.0 155.9 48.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.6 m -155.36 -28.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -71.95 2.61 5.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.572 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -68.42 -38.9 81.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.681 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.74 -28.19 2.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.5 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.8 ttp -52.35 -44.13 65.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.502 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -54.83 -59.08 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.707 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -56.13 -32.5 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 t -74.96 -36.56 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.19 -37.5 83.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.481 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -75.98 -40.97 52.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.05 -42.64 76.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -67.98 -2.46 7.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.637 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.63 15.86 22.72 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -58.9 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.65 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.074 -1.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.789 0.328 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -147.61 -39.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 179.788 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.579 ' CG ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -45.97 -96.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.623 179.795 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.579 ' H ' ' CG ' ' A' ' 3' ' ' LYS . 4.5 ptpt -81.26 3.76 22.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.525 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -107.19 79.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.514 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -172.74 -37.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 p -40.63 141.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -111.46 -43.92 0.95 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 170.61 -61.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -109.92 3.57 20.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -139.65 138.67 36.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 16' ' ' MET . 89.0 m -143.44 -23.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.566 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -71.36 -0.21 9.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.528 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -65.34 -44.15 88.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.56 -30.99 4.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.569 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.4 ' HB2' HG22 ' A' ' 12' ' ' THR . 6.6 tpt -51.71 -42.62 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.633 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -59.43 -55.14 38.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.476 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HD3' ' H ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -53.8 -36.22 62.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.584 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -39.17 68.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.462 HD22 ' C ' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -60.87 -31.61 71.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 179.86 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -42.52 25.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.507 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -69.81 -45.43 67.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.506 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -76.43 -17.26 59.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.03 25.23 22.96 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -89.81 -52.25 5.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.535 0.207 . . . . 0.0 110.551 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.04 -1.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.794 0.33 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.3 t -158.78 -38.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.573 ' CG ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -63.32 -108.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.573 ' H ' ' CG ' ' A' ' 3' ' ' LYS . 17.6 mttt -60.09 -21.53 61.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.74 -18.79 56.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.643 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 2.7 t -77.81 -17.54 57.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.624 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -54.87 115.87 2.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.24 -120.36 4.75 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -120.72 116.23 24.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.874 0.368 . . . . 0.0 110.627 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.6 mtm-85 56.84 20.91 5.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -151.7 145.54 25.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 14' ' ' LYS . 31.7 m -143.08 -31.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.567 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -64.73 0.35 1.17 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.605 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 12' ' ' THR . 10.3 tptt -53.5 -54.05 42.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.686 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -135.1 -10.2 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.724 -179.767 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -46.36 -51.11 15.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -75.32 -43.64 49.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.473 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 mmtm -62.8 -10.13 11.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.66 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.1 t -104.51 -46.64 4.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -53.06 -30.85 38.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.49 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.58 -23.36 16.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.518 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -90.34 -58.06 2.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.722 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -61.17 -12.99 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.557 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.11 -6.93 84.14 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -84.36 -30.72 25.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.588 0.232 . . . . 0.0 110.629 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.295 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.743 0.306 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.21 -45.49 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.531 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' A' ' 5' ' ' GLU . 15.9 mtmm -53.39 111.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.517 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 tptp 72.67 -41.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.7 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 3' ' ' LYS . 1.4 mt-10 -66.71 -146.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.598 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 60.93 4.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.639 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -78.79 106.3 10.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.1 -113.0 3.01 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.17 92.18 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.702 0.287 . . . . 0.0 110.572 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 56.12 23.17 6.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -139.89 141.77 36.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.2 m -149.34 -23.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -78.2 3.41 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.629 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -73.53 -33.24 64.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.18 -32.18 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.648 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.5 ttt -53.12 -39.58 63.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -58.25 -48.59 79.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.701 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 11.9 mptt -59.64 -36.94 77.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.4 m -71.99 -34.62 69.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.519 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -65.77 -39.83 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.461 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -44.93 73.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.492 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 24' ' ' GLY . 10.5 mt-10 -63.46 -56.0 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.29 8.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.598 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 22' ' ' GLU . . . -94.47 -4.72 62.21 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.74 124.72 14.64 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.623 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.741 0.305 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.7 t -142.49 -13.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.523 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -91.24 -62.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.428 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -27.83 55.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.17 22.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 t -147.47 -39.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.501 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.8 p -47.38 158.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.34 -78.4 1.41 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -141.7 -50.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.716 0.293 . . . . 0.0 110.559 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -131.17 12.48 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.465 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tpp85 -134.77 156.1 49.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.584 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -157.92 -31.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -45.56 -26.28 0.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 18.4 pttm -65.34 -41.06 94.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.613 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 34.5 t -101.13 -16.41 17.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.4 ttm -71.89 -37.35 70.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.579 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -34.51 78.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 14' ' ' LYS . 16.3 mmtm -71.16 -43.74 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.582 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 t -74.53 -19.67 60.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.512 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -80.21 -42.54 23.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -70.42 -46.31 64.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -62.43 -52.07 65.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.446 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -88.05 16.61 5.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.7 -2.66 90.61 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -86.44 100.93 12.7 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.596 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.832 0.349 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 t -160.4 -76.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.633 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -58.58 -72.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.475 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -64.03 1.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 3' ' ' LYS . 1.2 tp10 -100.5 -42.55 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.555 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -25.98 25.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.629 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 t -41.74 152.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.31 -105.2 3.01 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.8 m -121.3 -41.36 2.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.634 0.254 . . . . 0.0 110.65 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.09 9.09 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.745 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -124.18 135.05 53.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.655 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 12' ' ' THR . 6.3 m -159.79 -13.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.56 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.51 1.74 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.772 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -92.03 -74.89 0.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.733 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.3 m -60.64 -34.71 74.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.9 ttt -58.41 -55.12 39.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.506 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -43.26 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.616 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.16 -43.1 99.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -29.97 64.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.417 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -65.15 -40.23 94.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.549 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -71.02 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.73 -17.09 64.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.22 -34.74 28.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.675 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.37 -7.34 79.7 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -67.57 -57.55 6.26 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.075 -1.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.827 0.346 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.83 -28.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.513 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 5' ' ' GLU . 26.9 mttt -70.08 105.66 2.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.588 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.97 1.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.628 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 3' ' ' LYS . 18.9 mm-40 -99.64 -50.36 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.552 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.475 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 1.4 t -64.49 -17.08 63.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.3 t -41.31 154.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.577 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.24 -103.71 2.47 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -111.2 -26.03 9.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.564 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' H ' ' H ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -159.01 -8.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.563 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' H ' ' H ' ' A' ' 10' ' ' ARG . 21.7 ttm105 -103.89 152.42 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.461 HG22 ' HB2' ' A' ' 16' ' ' MET . 87.6 m -157.21 -29.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.603 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -47.06 -15.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.545 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 12' ' ' THR . 10.0 tttm -68.31 -68.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -37.46 68.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.523 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.461 ' HB2' HG22 ' A' ' 12' ' ' THR . 3.9 tpt -52.99 -56.99 11.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.578 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -61.66 -43.26 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -35.79 77.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.54 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.89 -38.86 66.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.588 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.432 HD22 ' C ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -60.41 -35.17 75.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 24' ' ' GLY . 3.3 ttp180 -77.89 -50.21 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.499 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -47.54 -29.75 3.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.523 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -78.26 -28.17 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.577 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . -102.39 20.23 45.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -80.74 153.37 27.85 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.55 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.001 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.482 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 32.2 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.733 0.301 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' GLU . 18.9 m -159.5 -102.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.638 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 2' ' ' CYS . 6.8 mmtp 37.29 -96.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 2' ' ' CYS . 1.6 tptt -118.42 -2.16 11.13 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.471 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' CYS . 0.2 OUTLIER -68.07 1.24 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.529 -179.83 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.3 p -121.41 23.69 10.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.594 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 p -63.75 123.07 17.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.479 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.49 -111.04 3.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.425 ' C ' ' N ' ' A' ' 11' ' ' ARG . 2.4 p -109.68 98.59 7.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.725 0.297 . . . . 0.0 110.508 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 51.16 13.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.567 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 9' ' ' SER . 11.2 ttm180 -128.63 149.89 50.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 m -167.46 -24.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.219 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -56.43 -18.35 10.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -67.21 -70.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.476 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -41.2 97.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.694 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -61.56 2.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -43.03 76.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.715 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -61.4 -42.46 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.1 m -73.38 -35.86 65.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.63 -38.19 90.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -47.69 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -59.99 -14.8 17.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.568 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -87.43 13.15 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.61 21.97 12.52 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.54 -25.69 41.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.524 0.202 . . . . 0.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 120.001 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.864 0.364 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.444 ' C ' ' N ' ' A' ' 4' ' ' LYS . 6.5 p -160.07 -50.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.616 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -50.32 -13.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.548 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.444 ' N ' ' C ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -139.02 -11.42 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.576 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' A' ' 7' ' ' SER . 33.4 mt-10 -105.73 -168.17 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.501 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.6 t 57.52 4.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.554 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.492 ' H ' ' C ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -64.84 115.68 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.481 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -105.02 -123.16 5.19 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 11' ' ' ARG . 10.4 m -66.8 71.04 0.08 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.904 0.383 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER 54.74 7.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.618 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 9' ' ' SER . 29.6 ttm180 -102.77 151.24 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.433 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.561 HG22 ' HB2' ' A' ' 16' ' ' MET . 31.2 m -152.26 -29.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.566 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -42.01 -24.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.384 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 12' ' ' THR . 1.1 tppm? -67.24 -65.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.06 0.457 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.05 -44.36 69.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.498 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.561 ' HB2' HG22 ' A' ' 12' ' ' THR . 0.9 OUTLIER -48.24 -52.74 19.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -62.33 -48.07 81.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.503 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -62.19 -21.95 65.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -90.83 -44.14 9.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.404 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -59.64 -27.1 66.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.527 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -22.97 66.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -84.71 19.41 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.444 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -57.43 -10.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.52 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.48 19.44 54.6 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 7.8 t60 -55.67 -14.65 2.33 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.547 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.037 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 0.0 110.564 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.85 -36.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.566 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -70.22 125.4 26.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.66 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.4 mttp 51.26 16.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -123.71 -2.72 8.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.751 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.2 t -112.31 -15.5 13.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.669 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -42.99 134.18 3.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.78 -102.97 1.0 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -116.58 -10.15 11.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.757 0.313 . . . . 0.0 110.642 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.425 ' H ' ' H ' ' A' ' 11' ' ' ARG . 8.0 ptp180 -175.63 -4.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.652 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' H ' ' H ' ' A' ' 10' ' ' ARG . 3.5 tpp85 -107.25 144.45 34.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.3 m -139.22 -26.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.612 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -72.33 6.01 2.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.735 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 61.9 tttp -75.15 -49.36 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.532 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -106.8 -30.85 8.67 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.7 tpt -59.47 -39.32 83.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.688 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -56.01 -47.76 77.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.775 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' A' ' 14' ' ' LYS . 2.5 mmtm -65.68 -36.4 83.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.441 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.0 m -72.72 -35.84 67.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.15 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -45.03 96.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.442 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -45.24 68.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.437 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -62.29 -46.82 87.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.444 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -89.68 17.6 6.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.543 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.35 3.95 5.17 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -54.89 137.7 44.84 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.759 0.314 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.409 ' H ' ' H ' ' A' ' 3' ' ' LYS . 13.3 t -155.62 -18.61 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.409 ' H ' ' H ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -94.88 -71.75 0.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.444 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.33 52.08 1.02 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.547 ' CD ' ' H ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -90.03 -99.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.53 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.547 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 52.5 m -68.18 7.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.698 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 5' ' ' GLU . 18.8 p -48.44 106.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.491 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.79 -115.82 3.04 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -119.31 -20.62 7.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.3 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.98 -6.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.676 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -112.24 156.45 22.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 14' ' ' LYS . 85.5 m -165.51 -27.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -70.26 4.06 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.477 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 12' ' ' THR . 41.4 tttt -67.2 -46.39 74.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.777 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 m -122.26 -20.61 6.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.652 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' ASN . 16.1 ttt -64.61 -37.12 86.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -55.46 -57.71 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.716 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -56.23 -37.91 70.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.455 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.9 t -75.4 -28.95 59.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' MET . 37.3 t30 -76.67 -33.11 58.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.42 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -77.44 -45.06 26.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 24' ' ' GLY . 10.7 mt-10 -84.1 15.78 3.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.585 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.14 2.28 0.58 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 22' ' ' GLU . . . -80.09 9.13 48.42 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.449 ' ND1' ' C ' ' A' ' 25' ' ' HIS . 5.0 p80 -55.25 154.74 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.522 0.201 . . . . 0.0 110.535 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.983 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.567 ' SG ' ' NH1' ' A' ' 11' ' ' ARG . 35.0 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.737 0.303 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.4 p -42.44 135.67 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.85 -109.3 3.39 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 p -106.96 -43.96 4.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.757 0.313 . . . . 0.0 110.619 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -136.44 0.88 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.567 ' NH1' ' SG ' ' A' ' 6' ' ' CYS . 1.3 tmm_? -104.11 136.35 43.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -168.47 -23.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.568 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -60.03 -20.78 59.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.653 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -76.61 -64.28 1.15 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -33.0 74.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.479 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.5 ttp -62.84 -53.62 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.524 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.98 -39.72 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -62.24 -43.1 99.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.591 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.481 ' SG ' ' NE2' ' A' ' 23' ' ' HIS . 4.2 t -72.5 -32.49 66.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.353 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.06 -40.05 90.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.601 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -43.24 62.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.626 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.77 -35.76 80.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.481 ' NE2' ' SG ' ' A' ' 19' ' ' CYS . 5.9 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.494 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.881 0.372 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 91.1 p -85.23 134.96 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -120.16 -97.47 1.65 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.5 t -115.37 -58.52 2.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.678 0.275 . . . . 0.0 110.567 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -129.44 26.62 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.608 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -141.19 126.81 18.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.576 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.7 m -160.25 -23.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.429 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -75.58 -16.55 60.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.661 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.26 -24.42 66.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.487 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -126.37 -38.47 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.446 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 3.0 ttm -61.95 -31.44 71.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.657 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -77.48 -29.98 52.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -78.49 -32.81 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.5 m -81.51 -38.63 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.433 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -49.34 -34.39 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.561 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -87.24 -56.31 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.647 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.29 -39.77 57.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.755 0.312 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 t -41.66 155.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.35 -97.64 0.97 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -122.79 -17.7 6.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.567 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -165.75 -12.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.496 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -101.8 143.75 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' LYS . 52.0 m -147.41 -29.27 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 13' ' ' LYS . 37.4 mttp -40.17 -24.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.654 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' THR . 36.3 tttt -71.38 -68.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.652 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -35.03 79.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.576 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.465 ' HB2' HG22 ' A' ' 12' ' ' THR . 1.9 ttt -55.19 -60.57 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -53.14 -45.67 68.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.666 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -61.47 -44.7 96.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.647 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.2 t -74.01 -21.95 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -75.92 -41.48 51.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -40.47 66.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.49 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.39 -1.4 18.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.51 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.466 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 44.4 t . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.754 0.312 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.09 139.1 35.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.93 -119.74 2.41 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.98 98.08 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.588 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 55.58 25.24 7.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -143.96 132.75 22.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 m -161.96 -26.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.692 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -71.49 1.25 6.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.631 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 tptm -80.06 -54.74 5.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.631 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 p -90.63 -32.84 16.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.649 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -60.83 -42.95 98.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.49 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -47.9 -65.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.492 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -52.89 -38.43 61.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.365 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 t -72.94 -25.48 61.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 16' ' ' MET . 24.8 t30 -74.91 -29.64 61.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.676 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -86.35 -37.49 18.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.673 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.22 -41.29 85.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.687 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 7' ' ' SER . 7.9 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.78 0.324 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 71.4 p -52.86 173.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.385 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.95 -88.29 0.6 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.7 m -151.15 -42.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.525 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 -115.91 8.42 14.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' CA ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -144.11 155.1 43.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.1 m -168.01 -22.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 0.12 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.627 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -75.98 -29.0 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.79 -32.88 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.72 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' ASN . 51.4 ttp -56.39 -37.89 70.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -51.86 -61.31 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.624 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -34.36 73.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.426 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.6 -20.54 59.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.408 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' MET . 16.1 t-20 -77.17 -37.94 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.427 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -36.61 66.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.411 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.56 -29.02 68.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.391 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.448 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.549 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.2 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.884 0.373 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.44 113.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.59 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.8 -103.48 1.7 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 60.7 p -129.15 -64.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.603 0.24 . . . . 0.0 110.588 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.46 ' N ' ' OG ' ' A' ' 9' ' ' SER . 14.0 mmp_? -106.15 19.39 20.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.529 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.26 156.71 37.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.0 m -167.82 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.53 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 4.47 9.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.534 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -73.61 -32.05 63.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.794 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.66 -24.95 1.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.672 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' ASN . 8.0 ttt -60.03 -32.3 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.561 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -54.46 -57.43 11.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.009 0.433 . . . . 0.0 110.41 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -39.15 87.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.513 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -19.74 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' MET . 14.3 t-20 -78.02 -31.98 50.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.599 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -85.84 -36.22 20.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -79.33 6.7 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.627 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.789 0.328 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 m -48.59 138.13 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.58 -122.18 4.16 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 p -105.64 -59.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.518 0.199 . . . . 0.0 110.658 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -119.83 12.48 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.734 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -134.53 153.47 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.387 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.518 ' C ' ' H ' ' A' ' 14' ' ' LYS . 18.8 m -152.7 -29.36 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -64.27 5.44 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.65 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 12' ' ' THR . 0.8 OUTLIER -63.23 -57.62 9.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.578 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 -15.76 11.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.612 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -61.46 -49.03 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.489 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.578 ' CA ' HE21 ' A' ' 17' ' ' GLN . 0.0 OUTLIER -54.15 -52.64 60.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -42.8 94.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -75.6 -14.41 60.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' MET . 3.9 t30 -90.4 -33.1 16.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.694 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -49.33 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.684 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.87 -11.73 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.717 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.474 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.834 0.349 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.96 146.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.93 -99.66 0.43 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.462 ' C ' ' N ' ' A' ' 11' ' ' ARG . 32.8 t -99.12 90.06 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.549 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 50.89 10.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.462 ' N ' ' C ' ' A' ' 9' ' ' SER . 6.1 ttm180 -119.51 166.58 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.1 m -164.91 -27.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.99 1.53 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -72.65 -35.35 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 -32.35 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.587 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 16' ' ' MET . 10.8 tmm? -58.47 -29.19 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -55.42 22.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -34.64 72.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.527 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.463 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 14.0 t -73.48 -29.78 62.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.548 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -69.0 -40.1 78.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -43.0 60.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.617 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -43.84 -37.23 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 19' ' ' CYS . 6.5 m170 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.825 0.345 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 t -42.81 160.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.08 -98.4 2.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.26 -60.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 110.575 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.98 -12.57 15.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -106.88 145.15 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.497 HG22 ' HB2' ' A' ' 16' ' ' MET . 35.6 m -148.25 -33.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 11.4 mptt -59.48 -16.62 25.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -64.09 -37.99 89.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.731 -179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -107.91 -33.88 7.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.711 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.497 ' HB2' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -57.08 -44.59 83.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -54.41 -49.5 69.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.686 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' OE2' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -60.72 -40.55 92.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.598 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -70.2 -29.58 66.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -47.05 31.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.587 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 mmm180 -60.72 -62.11 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.693 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.539 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -50.51 -26.83 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.551 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 2.0 m80 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.94 140.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.611 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.57 -119.76 1.94 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -83.54 86.75 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.611 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.768 ' HE ' ' H ' ' A' ' 10' ' ' ARG . 2.9 mmp_? 52.02 22.73 1.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -133.0 155.9 48.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.6 m -155.36 -28.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -71.95 2.61 5.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.572 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -68.42 -38.9 81.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.681 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.74 -28.19 2.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.5 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.8 ttp -52.35 -44.13 65.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.502 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -54.83 -59.08 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.707 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -56.13 -32.5 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 t -74.96 -36.56 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.19 -37.5 83.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.481 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -75.98 -40.97 52.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.05 -42.64 76.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.4 t60 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.637 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.797 0.332 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 p -40.63 141.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -111.46 -43.92 0.95 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 170.61 -61.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -109.92 3.57 20.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -139.65 138.67 36.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 16' ' ' MET . 89.0 m -143.44 -23.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.566 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -71.36 -0.21 9.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.528 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -65.34 -44.15 88.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.56 -30.99 4.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.569 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.4 ' HB2' HG22 ' A' ' 12' ' ' THR . 6.6 tpt -51.71 -42.62 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.633 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -59.43 -55.14 38.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.476 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HD3' ' H ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -53.8 -36.22 62.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.584 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -39.17 68.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.462 HD22 ' C ' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -60.87 -31.61 71.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 179.86 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -42.52 25.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.507 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -69.81 -45.43 67.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.506 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 -179.922 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 2.7 t . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.816 0.341 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -54.87 115.87 2.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.24 -120.36 4.75 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -120.72 116.23 24.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.874 0.368 . . . . 0.0 110.627 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.6 mtm-85 56.84 20.91 5.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -151.7 145.54 25.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 14' ' ' LYS . 31.7 m -143.08 -31.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.567 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -64.73 0.35 1.17 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.605 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 12' ' ' THR . 10.3 tptt -53.5 -54.05 42.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.686 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -135.1 -10.2 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.724 -179.767 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -46.36 -51.11 15.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -43.64 49.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.473 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 mmtm -62.8 -10.13 11.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.66 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.1 t -104.51 -46.64 4.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.06 -30.85 38.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.58 -23.36 16.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.518 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -90.34 -58.06 2.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.722 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.557 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.79 106.3 10.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.1 -113.0 3.01 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.17 92.18 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.702 0.287 . . . . 0.0 110.572 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 56.12 23.17 6.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -139.89 141.77 36.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.2 m -149.34 -23.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -78.2 3.41 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.629 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -73.53 -33.24 64.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.18 -32.18 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.648 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.5 ttt -53.12 -39.58 63.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -58.25 -48.59 79.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.701 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 11.9 mptt -59.64 -36.94 77.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.4 m -71.99 -34.62 69.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.519 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.77 -39.83 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.461 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -44.93 73.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.492 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -63.46 -56.0 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.598 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.8 p -47.38 158.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.34 -78.4 1.41 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -141.7 -50.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.716 0.293 . . . . 0.0 110.559 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -131.17 12.48 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.465 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tpp85 -134.77 156.1 49.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.584 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -157.92 -31.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -45.56 -26.28 0.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 18.4 pttm -65.34 -41.06 94.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.613 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 34.5 t -101.13 -16.41 17.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.4 ttm -71.89 -37.35 70.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.579 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.68 ' N ' HE21 ' A' ' 17' ' ' GLN . 0.0 OUTLIER -64.57 -34.51 78.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 14' ' ' LYS . 16.3 mmtm -71.16 -43.74 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.582 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 t -74.53 -19.67 60.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.512 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -80.21 -42.54 23.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -70.42 -46.31 64.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -62.43 -52.07 65.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.446 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.767 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.862 0.363 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 t -41.74 152.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.31 -105.2 3.01 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.8 m -121.3 -41.36 2.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.634 0.254 . . . . 0.0 110.65 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.09 9.09 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.745 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -124.18 135.05 53.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.655 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 12' ' ' THR . 6.3 m -159.79 -13.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.56 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.51 1.74 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.772 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -92.03 -74.89 0.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.733 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.3 m -60.64 -34.71 74.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.9 ttt -58.41 -55.12 39.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.506 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.9 -43.26 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.616 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.16 -43.1 99.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -29.97 64.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.417 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -65.15 -40.23 94.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.549 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -71.02 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.73 -17.09 64.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.675 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.475 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 1.4 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.77 0.319 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.3 t -41.31 154.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.577 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.24 -103.71 2.47 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -111.2 -26.03 9.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.564 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.413 ' H ' ' H ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -159.01 -8.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.563 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' H ' ' H ' ' A' ' 10' ' ' ARG . 21.7 ttm105 -103.89 152.42 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.461 HG22 ' HB2' ' A' ' 16' ' ' MET . 87.6 m -157.21 -29.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.603 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -47.06 -15.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.545 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 12' ' ' THR . 10.0 tttm -68.31 -68.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -37.46 68.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.523 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.461 ' HB2' HG22 ' A' ' 12' ' ' THR . 3.9 tpt -52.99 -56.99 11.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.578 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -43.26 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -35.79 77.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.54 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.89 -38.86 66.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.588 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.432 HD22 ' C ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -60.41 -35.17 75.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -77.89 -50.21 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.499 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -47.54 -29.75 3.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.523 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.577 179.565 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.775 0.322 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 p -63.75 123.07 17.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.479 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.49 -111.04 3.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.425 ' C ' ' N ' ' A' ' 11' ' ' ARG . 2.4 p -109.68 98.59 7.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.725 0.297 . . . . 0.0 110.508 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 51.16 13.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.567 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 9' ' ' SER . 11.2 ttm180 -128.63 149.89 50.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 m -167.46 -24.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.219 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -56.43 -18.35 10.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -67.21 -70.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.476 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -41.2 97.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.694 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -61.56 2.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -43.03 76.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.715 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -61.4 -42.46 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.1 m -73.38 -35.86 65.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.63 -38.19 90.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -47.69 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -59.99 -14.8 17.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.568 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.4 m80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.543 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.6 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.78 0.324 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.84 115.68 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.481 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -105.02 -123.16 5.19 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 11' ' ' ARG . 10.4 m -66.8 71.04 0.08 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.904 0.383 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER 54.74 7.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.618 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 9' ' ' SER . 29.6 ttm180 -102.77 151.24 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.433 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.561 HG22 ' HB2' ' A' ' 16' ' ' MET . 31.2 m -152.26 -29.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.566 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -42.01 -24.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.384 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 12' ' ' THR . 1.1 tppm? -67.24 -65.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.06 0.457 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.05 -44.36 69.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.498 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.561 ' HB2' HG22 ' A' ' 12' ' ' THR . 0.9 OUTLIER -48.24 -52.74 19.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -62.33 -48.07 81.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.503 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -62.19 -21.95 65.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -90.83 -44.14 9.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.404 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -59.64 -27.1 66.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.527 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -22.97 66.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -84.71 19.41 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.444 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 p80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.52 -179.92 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.801 0.334 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -42.99 134.18 3.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.78 -102.97 1.0 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -116.58 -10.15 11.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.757 0.313 . . . . 0.0 110.642 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.425 ' H ' ' H ' ' A' ' 11' ' ' ARG . 8.0 ptp180 -175.63 -4.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.652 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' H ' ' H ' ' A' ' 10' ' ' ARG . 3.5 tpp85 -107.25 144.45 34.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.3 m -139.22 -26.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.612 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -72.33 6.01 2.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.735 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 61.9 tttp -75.15 -49.36 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.532 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -106.8 -30.85 8.67 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.7 tpt -59.47 -39.32 83.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.688 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -56.01 -47.76 77.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.775 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' A' ' 14' ' ' LYS . 2.5 mmtm -65.68 -36.4 83.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.441 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.0 m -72.72 -35.84 67.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.15 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -45.03 96.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.442 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -45.24 68.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.437 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -62.29 -46.82 87.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.444 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.543 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.5 m . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.811 0.339 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.8 p -48.44 106.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.491 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.79 -115.82 3.04 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -119.31 -20.62 7.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.3 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.98 -6.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.676 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -112.24 156.45 22.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 14' ' ' LYS . 85.5 m -165.51 -27.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -70.26 4.06 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.477 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 12' ' ' THR . 41.4 tttt -67.2 -46.39 74.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.777 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 m -122.26 -20.61 6.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.652 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' ASN . 16.1 ttt -64.61 -37.12 86.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -55.46 -57.71 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.716 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -56.23 -37.91 70.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.455 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.9 t -75.4 -28.95 59.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' MET . 1.8 t-20 -76.67 -33.11 58.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.42 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -77.44 -45.06 26.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -84.1 15.78 3.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.585 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 t60 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.795 0.331 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.9 p -155.21 -27.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -89.91 -49.71 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.519 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 pttp -79.76 -21.5 44.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.646 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -81.99 14.93 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.582 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.567 ' SG ' ' NH1' ' A' ' 11' ' ' ARG . 35.0 t -146.64 -40.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.472 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.4 p -42.44 135.67 2.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.581 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.85 -109.3 3.39 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 p -106.96 -43.96 4.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.757 0.313 . . . . 0.0 110.619 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -136.44 0.88 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.576 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.567 ' NH1' ' SG ' ' A' ' 6' ' ' CYS . 1.3 tmm_? -104.11 136.35 43.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 m -168.47 -23.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.568 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -60.03 -20.78 59.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.653 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -76.61 -64.28 1.15 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.612 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -33.0 74.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.479 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.5 ttp -62.84 -53.62 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.524 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.98 -39.72 75.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.536 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -62.24 -43.1 99.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.591 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.481 ' SG ' ' NE2' ' A' ' 23' ' ' HIS . 4.2 t -72.5 -32.49 66.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.353 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.06 -40.05 90.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.601 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.99 -43.24 62.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.626 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.77 -35.76 80.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.481 ' NE2' ' SG ' ' A' ' 19' ' ' CYS . 5.9 m-70 -81.85 6.11 16.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.494 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.03 11.53 54.04 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.575 ' ND1' ' N ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -58.37 -104.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 121.143 -0.223 . . . . 0.0 110.557 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.065 -1.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.883 0.373 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.5 p -144.59 -12.99 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.598 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 5' ' ' GLU . 21.9 tttp -68.84 103.03 1.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.526 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' C ' ' H ' ' A' ' 6' ' ' CYS . 3.0 ttmt 73.34 -16.71 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.496 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 3' ' ' LYS . 2.5 mt-10 -75.85 18.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.56 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.446 ' H ' ' C ' ' A' ' 4' ' ' LYS . 26.3 p -138.45 11.1 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.465 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 91.1 p -85.23 134.96 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.621 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -120.16 -97.47 1.65 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.5 t -115.37 -58.52 2.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.678 0.275 . . . . 0.0 110.567 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -129.44 26.62 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.608 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -141.19 126.81 18.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.576 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.7 m -160.25 -23.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.668 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.429 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 0.2 OUTLIER -75.58 -16.55 60.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.661 -179.764 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.26 -24.42 66.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.487 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -126.37 -38.47 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.446 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 3.0 ttm -61.95 -31.44 71.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.657 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -77.48 -29.98 52.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.557 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -78.49 -32.81 48.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.556 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.5 m -81.51 -38.63 25.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.433 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -49.34 -34.39 15.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.561 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -87.24 -56.31 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.647 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.29 -39.77 57.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.569 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -86.33 5.31 35.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.658 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.21 -18.86 58.44 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.532 ' ND1' ' N ' ' A' ' 26' ' ' NH2 . 20.8 t-80 -41.13 144.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.164 -0.214 . . . . 0.0 110.64 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . 0.532 ' N ' ' ND1' ' A' ' 25' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.037 -1.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.799 0.333 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.8 p -158.28 -21.21 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.513 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -82.21 -56.93 3.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.588 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -8.56 59.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.622 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -92.36 16.77 10.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.571 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 t -151.55 -27.76 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.57 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 t -41.66 155.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.562 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.35 -97.64 0.97 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.8 p -122.79 -17.7 6.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.322 . . . . 0.0 110.567 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 -165.75 -12.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.496 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -101.8 143.75 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 14' ' ' LYS . 52.0 m -147.41 -29.27 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.533 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 13' ' ' LYS . 37.4 mttp -40.17 -24.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.654 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' THR . 36.3 tttt -71.38 -68.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.652 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -35.03 79.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.576 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.465 ' HB2' HG22 ' A' ' 12' ' ' THR . 1.9 ttt -55.19 -60.57 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.601 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -53.14 -45.67 68.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.666 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -61.47 -44.7 96.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.647 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.2 t -74.01 -21.95 59.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.69 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -75.92 -41.48 51.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.634 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -40.47 66.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.49 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -73.39 -1.4 18.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.594 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.65 -7.36 59.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.51 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.26 16.27 13.9 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.1 150.74 45.18 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.097 -0.241 . . . . 0.0 110.549 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.074 -1.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.732 0.301 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.412 ' H ' ' H ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -158.62 -19.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.621 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 5' ' ' GLU . 27.6 mttm -70.14 118.49 13.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.606 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.9 mttt 60.29 2.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.673 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.463 ' H ' ' C ' ' A' ' 3' ' ' LYS . 2.7 mt-10 -105.64 -141.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.47 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.466 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 44.4 t 43.99 20.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.528 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 5' ' ' GLU . 0.6 OUTLIER -81.09 139.1 35.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.93 -119.74 2.41 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.98 98.08 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.588 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 55.58 25.24 7.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -143.96 132.75 22.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 m -161.96 -26.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.692 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -71.49 1.25 6.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.631 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 tptm -80.06 -54.74 5.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.631 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.0 p -90.63 -32.84 16.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.649 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -60.83 -42.95 98.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.49 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -47.9 -65.56 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.492 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -52.89 -38.43 61.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.365 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 t -72.94 -25.48 61.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 16' ' ' MET . 24.8 t30 -74.91 -29.64 61.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.676 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -86.35 -37.49 18.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.673 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -67.22 -41.29 85.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.687 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -90.23 14.77 11.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.601 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.13 8.9 75.61 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -52.79 -58.41 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.483 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 120.056 -1.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.924 0.392 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -155.17 -25.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.39 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -79.08 -55.61 4.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.687 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -86.46 1.57 50.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -103.91 3.18 33.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.764 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.521 ' SG ' ' N ' ' A' ' 7' ' ' SER . 7.9 p -133.53 -37.69 0.94 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.517 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.521 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 71.4 p -52.86 173.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.385 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.95 -88.29 0.6 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.7 m -151.15 -42.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.525 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.1 ptt85 -115.91 8.42 14.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.463 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' CA ' ' HE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -144.11 155.1 43.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.536 179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.1 m -168.01 -22.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.24 0.12 20.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.627 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -75.98 -29.0 58.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.79 -32.88 3.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.72 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 20' ' ' ASN . 51.4 ttp -56.39 -37.89 70.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.532 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -51.86 -61.31 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.624 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -34.36 73.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.426 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.6 -20.54 59.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.408 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' MET . 16.1 t-20 -77.17 -37.94 52.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.427 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.1 -36.61 66.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.411 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.56 -29.02 68.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.391 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.448 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -89.17 -8.34 53.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.549 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.29 -3.85 58.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.32 -63.12 1.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.174 -0.21 . . . . 0.0 110.608 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.032 -1.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.7 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.679 0.276 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 5.2 t -134.58 -36.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.561 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -68.57 -66.23 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.553 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -63.79 -30.55 71.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.67 -51.49 67.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.638 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 33.2 m -65.66 -45.02 84.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.44 113.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.59 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.8 -103.48 1.7 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 10' ' ' ARG . 60.7 p -129.15 -64.07 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.603 0.24 . . . . 0.0 110.588 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.46 ' N ' ' OG ' ' A' ' 9' ' ' SER . 14.0 mmp_? -106.15 19.39 20.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.529 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.26 156.71 37.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.0 m -167.82 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.53 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 4.47 9.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.534 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -73.61 -32.05 63.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.794 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.66 -24.95 1.93 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.672 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' ASN . 8.0 ttt -60.03 -32.3 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.561 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -54.46 -57.43 11.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.009 0.433 . . . . 0.0 110.41 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -39.15 87.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.513 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.66 -19.74 60.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.63 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' MET . 14.3 t-20 -78.02 -31.98 50.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.599 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -85.84 -36.22 20.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -79.33 6.7 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.627 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.39 -21.58 62.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.639 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.9 20.59 50.01 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.427 ' ND1' ' C ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -59.56 -62.45 1.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.656 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.006 -1.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.1 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.834 0.35 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' H ' ' H ' ' A' ' 3' ' ' LYS . 5.1 p -157.22 -4.51 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.543 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' C ' ' H ' ' A' ' 5' ' ' GLU . 1.1 tptp -75.29 85.38 2.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.456 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.7 tttt 71.93 -8.27 1.15 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.56 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 3' ' ' LYS . 4.8 mt-10 -73.62 2.34 8.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.689 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.3 p -114.37 3.99 15.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.551 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 m -48.59 138.13 11.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.58 -122.18 4.16 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 p -105.64 -59.34 1.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.518 0.199 . . . . 0.0 110.658 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -119.83 12.48 12.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.734 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.9 ttm-85 -134.53 153.47 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.387 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.518 ' C ' ' H ' ' A' ' 14' ' ' LYS . 18.8 m -152.7 -29.36 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.723 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -64.27 5.44 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.65 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 12' ' ' THR . 0.8 OUTLIER -63.23 -57.62 9.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.578 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.15 -15.76 11.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.612 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' ASN . 0.0 OUTLIER -61.46 -49.03 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.489 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.578 ' CA ' HE21 ' A' ' 17' ' ' GLN . 0.0 OUTLIER -54.15 -52.64 60.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.56 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -42.8 94.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.652 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.2 m -75.6 -14.41 60.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.43 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' MET . 3.9 t30 -90.4 -33.1 16.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.694 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -49.33 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.684 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -59.87 -11.73 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.717 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.474 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -73.24 -13.22 61.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.14 6.03 84.07 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 26' ' ' NH2 . 0.1 OUTLIER -41.59 -42.38 2.44 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.093 -0.243 . . . . 0.0 110.643 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . 0.527 ' N ' ' CD2' ' A' ' 25' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.002 -1.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.806 0.336 . . . . 0.0 110.56 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m -154.07 -1.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.549 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -101.93 -70.7 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.545 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -77.26 -0.46 25.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.511 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -101.96 -7.02 22.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.571 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -120.15 -27.59 5.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.569 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.96 146.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -139.93 -99.66 0.43 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.462 ' C ' ' N ' ' A' ' 11' ' ' ARG . 32.8 t -99.12 90.06 4.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 110.549 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 50.89 10.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.584 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.462 ' N ' ' C ' ' A' ' 9' ' ' SER . 6.1 ttm180 -119.51 166.58 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.558 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.1 m -164.91 -27.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.559 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.99 1.53 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -72.65 -35.35 67.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 -32.35 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.587 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 16' ' ' MET . 10.8 tmm? -58.47 -29.19 66.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.96 -55.42 22.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -34.64 72.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.527 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.463 ' O ' ' CE1' ' A' ' 23' ' ' HIS . 14.0 t -73.48 -29.78 62.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.548 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -69.0 -40.1 78.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -43.0 60.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.617 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -43.84 -37.23 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.574 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.463 ' CE1' ' O ' ' A' ' 19' ' ' CYS . 6.5 m170 -81.22 -49.23 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.59 18.65 6.85 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -50.09 -40.66 46.41 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 121.16 -0.216 . . . . 0.0 110.537 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.102 -1.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.768 0.318 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -151.11 -53.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.566 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -56.0 -83.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.553 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -69.97 -4.88 22.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.623 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -83.38 -35.11 25.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.661 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.7 t -99.15 -28.78 13.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.647 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 t -42.81 160.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.08 -98.4 2.5 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.26 -60.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.76 0.314 . . . . 0.0 110.575 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.98 -12.57 15.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -106.88 145.15 32.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.519 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.497 HG22 ' HB2' ' A' ' 16' ' ' MET . 35.6 m -148.25 -33.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.522 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 11.4 mptt -59.48 -16.62 25.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.556 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 15' ' ' CYS . 0.4 OUTLIER -64.09 -37.99 89.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.731 -179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -107.91 -33.88 7.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.711 -179.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.497 ' HB2' HG22 ' A' ' 12' ' ' THR . 0.2 OUTLIER -57.08 -44.59 83.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.619 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -54.41 -49.5 69.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.686 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' OE2' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -60.72 -40.55 92.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.598 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.481 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -70.2 -29.58 66.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.97 -47.05 31.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.587 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 24' ' ' GLY . 8.4 mmm180 -60.72 -62.11 2.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.693 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.539 ' N ' ' OE1' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -50.51 -26.83 5.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.551 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 19' ' ' CYS . 2.0 m80 -86.46 15.13 5.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . -79.38 17.43 8.06 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -70.99 28.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.154 -0.218 . . . . 0.0 110.545 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.952 -1.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.826 0.346 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -157.47 -11.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.54 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -90.52 -60.68 1.86 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.672 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.5 -0.62 20.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.668 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -110.33 18.05 20.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.441 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.3 t -141.97 -30.59 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.673 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.94 140.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.611 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.57 -119.76 1.94 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -83.54 86.75 7.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 110.611 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.768 ' HE ' ' H ' ' A' ' 10' ' ' ARG . 2.9 mmp_? 52.02 22.73 1.93 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -133.0 155.9 48.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.574 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.6 m -155.36 -28.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -71.95 2.61 5.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.572 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -68.42 -38.9 81.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.681 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.74 -28.19 2.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.5 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.8 ttp -52.35 -44.13 65.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.502 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -54.83 -59.08 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.707 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -56.13 -32.5 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.498 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 t -74.96 -36.56 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.19 -37.5 83.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.481 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -75.98 -40.97 52.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -69.05 -42.64 76.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -67.98 -2.46 7.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.637 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.63 15.86 22.72 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -58.9 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.65 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.074 -1.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.789 0.328 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -147.61 -39.49 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.51 179.788 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.579 ' CG ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -45.97 -96.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.623 179.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.579 ' H ' ' CG ' ' A' ' 3' ' ' LYS . 4.5 ptpt -81.26 3.76 22.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.525 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -107.19 79.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.514 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -172.74 -37.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.7 p -40.63 141.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.595 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -111.46 -43.92 0.95 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 170.61 -61.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.576 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -109.92 3.57 20.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.599 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -139.65 138.67 36.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.509 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.4 HG22 ' HB2' ' A' ' 16' ' ' MET . 89.0 m -143.44 -23.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.566 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -71.36 -0.21 9.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.528 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -65.34 -44.15 88.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.661 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.56 -30.99 4.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.569 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.4 ' HB2' HG22 ' A' ' 12' ' ' THR . 6.6 tpt -51.71 -42.62 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.633 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -59.43 -55.14 38.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.476 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HD3' ' H ' ' A' ' 18' ' ' LYS . 0.9 OUTLIER -53.8 -36.22 62.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.584 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.3 -39.17 68.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.462 HD22 ' C ' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -60.87 -31.61 71.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 179.86 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -42.52 25.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.507 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -69.81 -45.43 67.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.506 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -76.43 -17.26 59.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.558 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.03 25.23 22.96 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -89.81 -52.25 5.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.535 0.207 . . . . 0.0 110.551 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.04 -1.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.794 0.33 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.3 t -158.78 -38.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.573 ' CG ' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -63.32 -108.89 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.585 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.573 ' H ' ' CG ' ' A' ' 3' ' ' LYS . 17.6 mttt -60.09 -21.53 61.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.503 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.74 -18.79 56.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.643 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.449 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 2.7 t -77.81 -17.54 57.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.624 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.0 t -54.87 115.87 2.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.569 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.24 -120.36 4.75 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -120.72 116.23 24.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.874 0.368 . . . . 0.0 110.627 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.6 mtm-85 56.84 20.91 5.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 tpp180 -151.7 145.54 25.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 14' ' ' LYS . 31.7 m -143.08 -31.98 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.567 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.0 mttm -64.73 0.35 1.17 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.605 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' H ' ' C ' ' A' ' 12' ' ' THR . 10.3 tptt -53.5 -54.05 42.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.686 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -135.1 -10.2 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.724 -179.767 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.488 ' SD ' ' O ' ' A' ' 16' ' ' MET . 0.3 OUTLIER -46.36 -51.11 15.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.32 -43.64 49.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.473 -179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.1 mmtm -62.8 -10.13 11.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.66 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.1 t -104.51 -46.64 4.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.572 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.06 -30.85 38.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.49 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.58 -23.36 16.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.518 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -90.34 -58.06 2.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.722 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -61.17 -12.99 14.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.557 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.11 -6.93 84.14 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -84.36 -30.72 25.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.588 0.232 . . . . 0.0 110.629 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.295 0 O-C-N 120.039 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.743 0.306 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.21 -45.49 0.42 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.531 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' C ' ' H ' ' A' ' 5' ' ' GLU . 15.9 mtmm -53.39 111.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.517 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 tptp 72.67 -41.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.7 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 3' ' ' LYS . 1.4 mt-10 -66.71 -146.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.598 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 60.93 4.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.639 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 5' ' ' GLU . 0.5 OUTLIER -78.79 106.3 10.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.522 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.1 -113.0 3.01 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.17 92.18 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.702 0.287 . . . . 0.0 110.572 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 56.12 23.17 6.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.546 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -139.89 141.77 36.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.537 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.2 m -149.34 -23.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.58 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -78.2 3.41 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.629 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -73.53 -33.24 64.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.626 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.18 -32.18 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.648 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 17.5 ttt -53.12 -39.58 63.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.614 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -58.25 -48.59 79.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.701 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 18' ' ' LYS . 11.9 mptt -59.64 -36.94 77.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.615 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.4 m -71.99 -34.62 69.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.519 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -65.77 -39.83 91.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.461 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -44.93 73.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.492 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 24' ' ' GLY . 10.5 mt-10 -63.46 -56.0 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.598 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.29 8.24 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.598 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.466 ' H ' ' C ' ' A' ' 22' ' ' GLU . . . -94.47 -4.72 62.21 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.74 124.72 14.64 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.623 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.741 0.305 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 34.7 t -142.49 -13.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.523 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -91.24 -62.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.428 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.94 -27.83 55.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.17 22.34 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.814 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.2 t -147.47 -39.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.501 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.8 p -47.38 158.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.534 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.34 -78.4 1.41 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -141.7 -50.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.716 0.293 . . . . 0.0 110.559 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.8 mtt85 -131.17 12.48 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.465 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 tpp85 -134.77 156.1 49.45 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.584 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 m -157.92 -31.94 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.649 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -45.56 -26.28 0.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.605 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 18.4 pttm -65.34 -41.06 94.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.613 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.402 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 34.5 t -101.13 -16.41 17.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 6.4 ttm -71.89 -37.35 70.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.579 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.68 ' N ' HE21 ' A' ' 17' ' ' GLN . 0.0 OUTLIER -64.57 -34.51 78.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 14' ' ' LYS . 16.3 mmtm -71.16 -43.74 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.582 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 t -74.53 -19.67 60.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.512 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -80.21 -42.54 23.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.583 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -70.42 -46.31 64.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.553 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -62.43 -52.07 65.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.446 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -88.05 16.61 5.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.7 -2.66 90.61 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -86.44 100.93 12.7 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.596 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.832 0.349 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 t -160.4 -76.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.633 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -58.58 -72.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.475 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -64.03 1.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 3' ' ' LYS . 1.2 tp10 -100.5 -42.55 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.555 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -25.98 25.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.629 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.8 t -41.74 152.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.31 -105.2 3.01 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.8 m -121.3 -41.36 2.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.634 0.254 . . . . 0.0 110.65 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.09 9.09 3.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.745 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -124.18 135.05 53.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.655 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 12' ' ' THR . 6.3 m -159.79 -13.74 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.56 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.0 mttm -69.51 1.74 3.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.772 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 tttm -92.03 -74.89 0.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.733 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.3 m -60.64 -34.71 74.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.598 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.9 ttt -58.41 -55.12 39.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.506 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -55.9 -43.26 77.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.616 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.16 -43.1 99.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.681 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -29.97 64.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.417 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -65.15 -40.23 94.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.549 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -71.02 -40.29 71.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -67.73 -17.09 64.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.617 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.22 -34.74 28.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.675 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.37 -7.34 79.7 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -67.57 -57.55 6.26 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.545 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.075 -1.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.827 0.346 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.83 -28.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.513 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 5' ' ' GLU . 26.9 mttt -70.08 105.66 2.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.588 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.97 1.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.628 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 3' ' ' LYS . 18.9 mm-40 -99.64 -50.36 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.552 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.475 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 1.4 t -64.49 -17.08 63.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.548 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.3 t -41.31 154.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.577 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -99.24 -103.71 2.47 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -111.2 -26.03 9.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.798 0.332 . . . . 0.0 110.564 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' H ' ' H ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -159.01 -8.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.563 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' H ' ' H ' ' A' ' 10' ' ' ARG . 21.7 ttm105 -103.89 152.42 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.55 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.461 HG22 ' HB2' ' A' ' 16' ' ' MET . 87.6 m -157.21 -29.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.603 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -47.06 -15.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.545 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 12' ' ' THR . 10.0 tttm -68.31 -68.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.503 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.57 -37.46 68.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.523 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.461 ' HB2' HG22 ' A' ' 12' ' ' THR . 3.9 tpt -52.99 -56.99 11.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.578 179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.66 -43.26 99.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -35.79 77.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.54 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 m -72.89 -38.86 66.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.588 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.432 HD22 ' C ' ' A' ' 20' ' ' ASN . 0.1 OUTLIER -60.41 -35.17 75.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.624 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 24' ' ' GLY . 3.3 ttp180 -77.89 -50.21 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.499 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -47.54 -29.75 3.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.523 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -78.26 -28.17 47.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.577 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . -102.39 20.23 45.43 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -80.74 153.37 27.85 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.55 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.001 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.482 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 32.2 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.733 0.301 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 5' ' ' GLU . 18.9 m -159.5 -102.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.638 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 2' ' ' CYS . 6.8 mmtp 37.29 -96.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 2' ' ' CYS . 1.6 tptt -118.42 -2.16 11.13 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.471 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 2' ' ' CYS . 0.2 OUTLIER -68.07 1.24 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.529 -179.83 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 29.3 p -121.41 23.69 10.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.594 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 p -63.75 123.07 17.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.479 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.49 -111.04 3.55 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.425 ' C ' ' N ' ' A' ' 11' ' ' ARG . 2.4 p -109.68 98.59 7.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.725 0.297 . . . . 0.0 110.508 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 51.16 13.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.567 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 9' ' ' SER . 11.2 ttm180 -128.63 149.89 50.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.7 m -167.46 -24.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.219 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -56.43 -18.35 10.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -67.21 -70.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.476 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -41.2 97.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.694 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -51.41 -61.56 2.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.9 -43.03 76.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.715 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -61.4 -42.46 98.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 66.1 m -73.38 -35.86 65.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.63 -38.19 90.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.597 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -47.69 55.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.665 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -59.99 -14.8 17.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.568 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -87.43 13.15 10.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.61 21.97 12.52 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.54 -25.69 41.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.524 0.202 . . . . 0.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 120.001 -1.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.864 0.364 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.444 ' C ' ' N ' ' A' ' 4' ' ' LYS . 6.5 p -160.07 -50.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.616 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -50.32 -13.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.548 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.444 ' N ' ' C ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -139.02 -11.42 1.27 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.576 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' A' ' 7' ' ' SER . 33.4 mt-10 -105.73 -168.17 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.501 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 41.6 t 57.52 4.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.554 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.492 ' H ' ' C ' ' A' ' 5' ' ' GLU . 0.3 OUTLIER -64.84 115.68 5.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.481 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' ARG . . . -105.02 -123.16 5.19 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.483 ' C ' ' H ' ' A' ' 11' ' ' ARG . 10.4 m -66.8 71.04 0.08 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.904 0.383 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER 54.74 7.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.618 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 9' ' ' SER . 29.6 ttm180 -102.77 151.24 22.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.433 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.561 HG22 ' HB2' ' A' ' 16' ' ' MET . 31.2 m -152.26 -29.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.566 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -42.01 -24.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.384 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' N ' ' C ' ' A' ' 12' ' ' THR . 1.1 tppm? -67.24 -65.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.06 0.457 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.05 -44.36 69.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.498 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.561 ' HB2' HG22 ' A' ' 12' ' ' THR . 0.9 OUTLIER -48.24 -52.74 19.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.521 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -62.33 -48.07 81.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.503 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -62.19 -21.95 65.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.558 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -90.83 -44.14 9.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.404 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -59.64 -27.1 66.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.527 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -22.97 66.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -84.71 19.41 2.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.444 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -57.43 -10.59 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.52 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.48 19.44 54.6 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 25' ' ' HIS . 7.8 t60 -55.67 -14.65 2.33 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.547 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.037 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.843 0.354 . . . . 0.0 110.564 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.85 -36.98 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.566 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -70.22 125.4 26.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.66 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.4 mttp 51.26 16.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -123.71 -2.72 8.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.751 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.2 t -112.31 -15.5 13.14 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.669 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t -42.99 134.18 3.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.78 -102.97 1.0 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -116.58 -10.15 11.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.757 0.313 . . . . 0.0 110.642 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.425 ' H ' ' H ' ' A' ' 11' ' ' ARG . 8.0 ptp180 -175.63 -4.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.652 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' H ' ' H ' ' A' ' 10' ' ' ARG . 3.5 tpp85 -107.25 144.45 34.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.3 m -139.22 -26.72 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.612 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -72.33 6.01 2.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.735 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . 61.9 tttp -75.15 -49.36 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.532 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -106.8 -30.85 8.67 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.7 tpt -59.47 -39.32 83.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.688 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -56.01 -47.76 77.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.775 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' A' ' 14' ' ' LYS . 2.5 mmtm -65.68 -36.4 83.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.441 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.0 m -72.72 -35.84 67.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.15 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -45.03 96.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.442 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -45.24 68.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.437 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -62.29 -46.82 87.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.444 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -89.68 17.6 6.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.543 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.35 3.95 5.17 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -54.89 137.7 44.84 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.759 0.314 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.409 ' H ' ' H ' ' A' ' 3' ' ' LYS . 13.3 t -155.62 -18.61 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.593 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.409 ' H ' ' H ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -94.88 -71.75 0.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.444 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -98.33 52.08 1.02 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.475 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.547 ' CD ' ' H ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -90.03 -99.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.53 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.547 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 52.5 m -68.18 7.06 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 0.0 110.698 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 5' ' ' GLU . 18.8 p -48.44 106.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.491 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.79 -115.82 3.04 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -119.31 -20.62 7.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.729 0.3 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -155.98 -6.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.676 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -112.24 156.45 22.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.67 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 14' ' ' LYS . 85.5 m -165.51 -27.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -70.26 4.06 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.477 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 12' ' ' THR . 41.4 tttt -67.2 -46.39 74.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.777 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.8 m -122.26 -20.61 6.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.652 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' ASN . 16.1 ttt -64.61 -37.12 86.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -55.46 -57.71 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.716 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -56.23 -37.91 70.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.455 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 47.9 t -75.4 -28.95 59.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' MET . 1.8 t-20 -76.67 -33.11 58.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.42 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -77.44 -45.06 26.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.674 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 24' ' ' GLY . 10.7 mt-10 -84.1 15.78 3.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.585 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.14 2.28 0.58 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.484 ' H ' ' C ' ' A' ' 22' ' ' GLU . . . -80.09 9.13 48.42 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.449 ' ND1' ' C ' ' A' ' 25' ' ' HIS . 5.0 p80 -55.25 154.74 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.522 0.201 . . . . 0.0 110.535 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.983 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_