data_2ff0_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 2ff0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.654 0.264 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -106.02 148.21 27.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.257 0.551 . . . . 0.0 110.72 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.8 mt -111.74 153.07 27.04 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.116 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.404 ' HB2' ' H ' ' A' ' 17' ' ' GLY . 38.2 m -66.03 137.25 95.79 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.344 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -67.27 -13.19 38.63 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.535 2.157 . . . . 0.0 112.439 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.571 HG21 ' N ' ' A' ' 16' ' ' CYS . 0.2 OUTLIER -104.03 -81.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.627 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.571 ' N ' HG21 ' A' ' 15' ' ' VAL . 30.6 p -69.65 -31.82 70.12 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.404 ' H ' ' HB2' ' A' ' 13' ' ' CYS . . . 93.45 14.44 53.53 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.314 177.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.57 ' HB2' ' HG ' ' A' ' 30' ' ' CYS . 67.5 m-20 -83.76 164.55 19.51 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 117.205 0.502 . . . . 0.0 111.106 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 13.1 mptt -65.22 127.9 33.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.979 176.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.405 HG11 ' HB3' ' A' ' 28' ' ' LEU . 21.3 m -76.35 136.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.249 0.547 . . . . 0.0 111.883 -174.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 p -90.61 -12.45 36.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.044 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.13 -165.04 28.61 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.438 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.601 ' HB3' ' HD1' ' A' ' 99' ' ' TYR . 20.1 m-85 -72.38 112.6 8.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.007 0.432 . . . . 0.0 111.188 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.649 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 49.6 m-70 -134.25 125.99 28.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.485 ' HD1' ' HB2' ' A' ' 82' ' ' ALA . 83.6 m-85 64.33 21.36 12.48 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.599 0.562 . . . . 0.0 111.928 173.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.43 0.22 53.52 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.165 -0.541 . . . . 0.0 113.119 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -139.25 158.7 43.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -176.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.4 mm? -70.61 106.24 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 167.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.649 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 19.0 p -139.1 164.92 28.51 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.704 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.607 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 26.7 p -95.52 177.19 5.9 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.583 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -70.01 -20.78 63.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.541 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.607 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 22.7 t -66.08 -45.54 80.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.2 m -63.78 -52.67 59.22 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -54.11 -51.91 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.764 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.89 -48.8 67.57 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.909 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -66.74 -37.89 85.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.593 0.235 . . . . 0.0 110.892 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.405 ' O ' HG22 ' A' ' 41' ' ' VAL . 6.2 t80 -60.88 -47.13 87.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -61.38 -48.88 79.24 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.9 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -55.91 -33.7 64.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.339 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.8 m -78.79 -57.97 3.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.232 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.633 ' HB ' HG11 ' A' ' 83' ' ' VAL . 21.9 t -70.58 -44.12 77.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -65.68 -43.31 89.62 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 111.471 -175.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -82.2 6.87 15.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.088 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 58.02 41.43 24.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.453 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -78.43 142.8 37.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.523 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -143.52 128.04 18.0 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.555 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -123.57 176.05 6.43 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.357 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -153.05 134.37 14.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.003 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.6 t -92.86 136.78 32.94 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.4 m -60.54 -52.11 66.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 0.0 110.854 -176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -131.89 156.92 45.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 p 46.81 86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.992 0.808 . . . . 0.0 111.798 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.63 -21.74 63.05 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.645 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.4 m -118.94 81.8 1.76 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.831 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.9 179.42 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.036 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.731 ' HB3' ' HZ1' ' A' ' 56' ' ' LYS . 5.0 mmmp? -75.91 105.39 6.93 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.0 mm -77.86 95.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.366 0.603 . . . . 0.0 109.728 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.94 -175.89 2.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.535 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -34.23 77.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.731 0.301 . . . . 0.0 111.401 -175.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.9 p -88.82 -48.03 7.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.123 0.487 . . . . 0.0 111.511 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.523 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 90.4 mt-30 -73.89 -7.62 53.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -172.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.428 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 38.6 ptt180 -75.9 -11.7 60.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.947 0.404 . . . . 0.0 110.322 176.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -92.83 -31.57 14.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.53 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 61' ' ' GLN . 12.7 ptm180 -79.06 -34.04 44.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.701 0.286 . . . . 0.0 111.708 -175.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.568 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 92.0 m -116.49 92.9 38.55 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 120.723 0.297 . . . . 0.0 111.634 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -66.63 -39.02 16.8 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.636 2.224 . . . . 0.0 111.445 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.8 -47.04 86.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.677 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.568 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 37.6 m -64.1 -35.5 80.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.482 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -68.0 -41.88 81.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.213 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -60.83 -50.76 72.12 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.26 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -57.96 -39.82 79.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.614 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.57 ' HG3' ' HB ' ' A' ' 15' ' ' VAL . 32.4 tptt -58.8 -44.56 90.78 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.465 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 69.0 m -59.09 -54.43 47.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.63 -40.09 93.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.335 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.8 m -63.79 -46.02 87.07 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 72' ' ' LYS . 27.2 m -69.78 -18.76 22.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.537 -176.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.86 15.88 3.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.419 -0.896 . . . . 0.0 114.067 172.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 86.7 mtp -75.04 124.4 26.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.419 0.609 . . . . 0.0 110.202 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.622 ' HA ' ' NE ' ' A' ' 79' ' ' ARG . 2.4 mmp_? -72.09 121.5 19.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.904 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.1 -29.23 60.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.927 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.73 -14.12 62.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.222 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.748 ' HB3' ' HZ ' ' A' ' 95' ' ' PHE . . . -79.77 -9.21 59.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.633 HG11 ' HB ' ' A' ' 41' ' ' VAL . 44.9 t -82.36 97.22 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.199 0.523 . . . . 0.0 110.389 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 88' ' ' MET . 21.4 tpt180 -79.05 78.01 5.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.264 175.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.04 -15.11 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.919 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 5.7 t70 -55.28 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.173 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 3.8 tpt180 165.82 -34.53 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.66 0.6 . . . . 0.0 110.057 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.557 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 11.2 tpt -52.72 114.84 1.53 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.279 -177.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.35 -15.83 63.91 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.955 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.39 70.36 2.99 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.35 175.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.45 23.77 5.33 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.372 -0.442 . . . . 0.0 113.285 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -83.22 106.13 14.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.424 0.631 . . . . 0.0 110.348 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.5 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 46.2 m-80 -95.56 -166.38 1.44 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.552 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -15.18 19.8 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -175.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.748 ' HZ ' ' HB3' ' A' ' 82' ' ' ALA . 38.9 p90 -96.71 10.77 37.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.718 0.294 . . . . 0.0 110.697 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.59 -47.58 44.92 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-O 119.541 -0.588 . . . . 0.0 114.065 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.71 -28.21 46.03 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.729 2.286 . . . . 0.0 114.164 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 4.3 ppp? -63.24 -29.48 70.81 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.194 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.601 ' HD1' ' HB3' ' A' ' 23' ' ' TYR . 74.2 m-85 -59.69 -56.75 17.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.322 . . . . 0.0 111.427 -178.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -73.26 -29.87 63.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.737 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -65.29 -54.78 24.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.076 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.94 -40.36 92.98 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.208 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.694 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.962 0.41 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' H ' HG23 ' A' ' 20' ' ' VAL . 32.7 mm-40 -124.6 -177.13 3.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.776 -174.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.2 mt -97.53 145.0 26.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.103 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.44 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 53.7 t -76.39 120.12 80.29 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.784 -178.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HG2' HG12 ' A' ' 76' ' ' VAL . 28.8 Cg_endo -64.55 -8.59 17.68 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.9 2.4 . . . . 0.0 112.889 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.624 HG12 ' HB3' ' A' ' 72' ' ' LYS . 82.0 t -82.92 -49.6 16.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.18 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 3.6 p -132.23 -14.69 2.97 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -169.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.92 -1.67 71.22 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.571 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.498 ' HB3' ' HG ' ' A' ' 30' ' ' CYS . 29.7 t0 -72.95 160.88 31.41 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.89 123.58 25.33 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 -175.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.588 HG21 HD13 ' A' ' 28' ' ' LEU . 10.6 m -75.54 139.26 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 111.035 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.5 t -93.09 5.68 50.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.163 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.02 178.83 15.47 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.091 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 88.8 m-85 -58.56 115.11 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.448 0.642 . . . . 0.0 111.827 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.561 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 12.9 m-70 -131.45 123.84 28.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.698 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.768 ' HE1' ' HG3' ' A' ' 34' ' ' LYS . 65.6 m-85 73.03 -71.6 0.13 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.125 0.57 . . . . 0.0 112.024 173.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 77' ' ' GLY . . . -129.67 -24.77 0.98 Allowed Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.123 -177.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -159.18 -176.54 5.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.588 HD13 HG21 ' A' ' 20' ' ' VAL . 2.3 pt? -76.95 115.08 16.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.749 0.785 . . . . 0.0 111.053 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 7.2 p -129.76 168.69 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.319 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.498 ' HG ' ' HB3' ' A' ' 18' ' ' ASP . 19.6 p -86.33 166.52 15.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.24 -29.69 69.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.093 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.471 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 50.5 m -55.27 -46.08 76.15 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.809 174.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -76.88 -43.01 37.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.898 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.768 ' HG3' ' HE1' ' A' ' 25' ' ' TYR . 33.1 ttpt -51.76 -49.96 61.59 Favored 'General case' 0 C--O 1.245 0.853 0 CA-C-O 121.359 0.6 . . . . 0.0 110.713 176.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.53 -52.16 41.76 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -60.42 -40.84 92.46 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.59 0.233 . . . . 0.0 111.129 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -58.16 -50.29 74.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.091 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HG2' HG23 ' A' ' 83' ' ' VAL . 26.5 mtmm -59.14 -51.09 71.52 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.435 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -57.06 -46.93 82.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.299 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.8 m -63.12 -49.95 72.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.638 HG13 ' CG1' ' A' ' 83' ' ' VAL . 44.9 t -63.75 -49.21 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.734 -178.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.64 -34.8 79.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.808 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.477 ' N ' HD21 ' A' ' 43' ' ' ASN . 0.8 OUTLIER -83.52 -4.71 58.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -179.523 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.5 m120 59.94 27.95 17.39 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.37 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HG3' ' CB ' ' A' ' 43' ' ' ASN . 90.9 mttt -72.72 114.62 11.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.957 -175.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -106.42 83.88 1.94 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.793 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -68.65 163.21 24.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.308 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 t -130.34 179.31 5.99 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.478 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 42.8 t -159.41 156.88 29.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -101.85 154.22 19.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.725 0.298 . . . . 0.0 111.042 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 59.71 -91.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.474 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.541 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 12.3 m -67.24 -57.68 6.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.712 -172.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 72.3 mt-30 69.86 -28.23 0.17 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.361 0.665 . . . . 0.0 111.996 -177.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 52' ' ' SER . 21.7 m -105.32 43.19 1.14 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 173.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.541 ' SG ' ' HB2' ' A' ' 52' ' ' SER . 61.6 m -62.51 171.59 1.91 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.529 -177.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -94.23 146.29 24.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.944 -176.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.709 HG13 ' HA ' ' A' ' 69' ' ' ARG . 50.9 mm -115.3 121.92 68.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.992 0.425 . . . . 0.0 110.4 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.508 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 7.4 m-20 -123.01 -172.01 2.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.863 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.7 -28.32 68.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.0 p -87.9 -49.92 6.77 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.928 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.508 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 36.5 mt-30 -79.24 8.07 6.61 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.212 -172.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.476 ' HA ' HG21 ' A' ' 57' ' ' ILE . 37.4 ptt180 -64.3 -33.3 75.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -97.88 -7.1 30.98 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.414 ' CD ' ' HA ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -67.44 -63.37 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -173.635 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.54 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.5 m -115.78 97.25 48.62 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.675 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.38 -40.14 51.15 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.555 2.17 . . . . 0.0 111.843 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -63.48 -46.52 85.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.482 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.695 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . 50.0 m -66.08 -30.64 71.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.683 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.709 ' HA ' HG13 ' A' ' 57' ' ' ILE . 70.3 ttt180 -67.89 -44.75 76.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.052 175.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -64.57 -48.06 76.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.559 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.695 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -70.13 -20.71 63.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.428 -179.474 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.801 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -71.26 -39.65 71.47 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.127 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.518 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 62.5 m -61.0 -38.5 86.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.672 174.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.92 -35.26 69.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.3 m -57.84 -43.11 85.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.478 HG12 ' HG2' ' A' ' 14' ' ' PRO . 33.6 m -80.05 -13.92 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.494 ' O ' ' HA3' ' A' ' 26' ' ' GLY . . . 105.23 26.41 6.28 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.121 -1.038 . . . . 0.0 114.308 171.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.518 ' SD ' ' HB3' ' A' ' 73' ' ' CYS . 79.7 mtp -72.92 113.72 10.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.503 0.652 . . . . 0.0 109.464 173.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -77.56 146.99 35.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.299 -170.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.73 -16.47 60.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.898 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.74 -0.03 28.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.896 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 25' ' ' TYR . . . -111.74 3.23 17.62 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.481 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.638 ' CG1' HG13 ' A' ' 41' ' ' VAL . 7.7 p -116.36 130.21 71.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.137 0.494 . . . . 0.0 110.333 176.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -138.42 133.41 32.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.247 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.1 2.29 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 166.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 87' ' ' ARG . 24.9 t70 -62.09 -16.07 49.73 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.269 -1.332 . . . . 0.0 112.269 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 86' ' ' ASP . 5.3 tpp180 81.89 -16.08 0.65 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.447 0.699 . . . . 0.0 111.36 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.7 tpp -66.6 115.16 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -81.29 58.57 3.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.077 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.22 -132.65 4.75 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.869 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.13 76.41 0.47 Allowed Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.631 -0.587 . . . . 0.0 111.631 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.568 ' HD2' ' HE2' ' A' ' 99' ' ' TYR . 23.2 ttm180 -148.89 110.83 4.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.975 0.417 . . . . 0.0 111.038 -174.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -104.15 -46.1 4.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.938 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -73.26 -16.87 61.38 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.524 ' O ' ' HG3' ' A' ' 98' ' ' MET . 83.8 m-85 -117.81 0.73 12.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.866 0.365 . . . . 0.0 110.341 174.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.421 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -58.0 -56.47 25.02 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 116.041 -0.527 . . . . 0.0 113.39 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 42.1 Cg_endo -68.38 -29.1 32.1 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.521 2.147 . . . . 0.0 113.58 -177.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.524 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 4.9 ppp? -69.93 -29.89 67.15 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.753 -172.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.568 ' HE2' ' HD2' ' A' ' 92' ' ' ARG . 47.3 m-85 -67.63 -49.69 61.7 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.344 0.593 . . . . 0.0 109.778 173.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -61.86 -42.66 99.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.863 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -58.54 -54.07 51.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.047 -0.978 . . . . 0.0 110.947 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.49 -33.42 74.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.573 -175.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.454 ' HA ' ' HE2' ' A' ' 23' ' ' TYR . 24.9 tpt180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.284 176.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 122.092 0.948 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.543 ' HG3' ' HG ' ' A' ' 28' ' ' LEU . 5.7 mm-40 -82.09 152.35 26.62 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.506 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.7 mt -108.18 137.08 46.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.802 0.334 . . . . 0.0 110.618 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.434 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 51.3 t -63.97 118.44 45.75 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.29 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.08 -12.53 36.41 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.787 2.325 . . . . 0.0 112.268 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.434 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 84.4 t -76.65 -56.61 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.469 178.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.1 p -111.58 -55.57 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 111.748 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.48 -1.93 4.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.913 -175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.18 153.8 40.55 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -71.76 132.71 44.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.941 0.401 . . . . 0.0 110.522 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' A' ' 28' ' ' LEU . 10.0 m -75.98 163.78 3.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.87 -172.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.6 t -112.88 16.24 19.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.541 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.09 -178.3 17.62 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.142 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -75.99 114.67 14.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.71 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 78.5 m-70 -140.13 134.08 30.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.618 0.246 . . . . 0.0 111.385 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.544 ' HD1' ' HB3' ' A' ' 24' ' ' HIS . 72.8 m-85 70.19 6.04 5.59 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 167.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.3 -35.26 1.91 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.575 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -150.41 -168.28 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.502 0.192 . . . . 0.0 110.739 179.343 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.602 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.2 mm? -72.07 115.28 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.71 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 2.9 p -132.42 155.31 48.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.317 0.58 . . . . 0.0 111.434 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.9 p -96.71 154.65 17.16 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.382 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 61.9 mm-40 -64.62 -22.51 66.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.263 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 p -62.76 -44.1 97.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.043 0.449 . . . . 0.0 110.571 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.5 m -78.71 -36.78 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.648 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 61.1 tttp -58.92 -43.12 91.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.785 0.326 . . . . 0.0 110.424 176.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.0 -49.39 54.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.21 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -56.34 -45.33 80.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.834 0.35 . . . . 0.0 110.946 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.599 ' O ' HG21 ' A' ' 41' ' ' VAL . 30.2 t80 -55.8 -51.47 67.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.037 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -59.0 -45.42 90.7 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.428 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -58.88 -40.56 84.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.94 0.4 . . . . 0.0 110.836 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.4 m -68.25 -52.28 35.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.01 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.689 HG22 HG23 ' A' ' 83' ' ' VAL . 16.0 m -68.65 -48.96 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.483 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 11.6 mm-40 -70.14 -35.82 74.32 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -85.24 1.11 49.64 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.611 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.473 ' N ' HD21 ' A' ' 44' ' ' ASN . 0.9 OUTLIER 63.19 28.14 15.81 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.22 0.534 . . . . 0.0 110.111 -179.551 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -78.73 140.79 38.25 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.947 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -141.27 116.78 10.2 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.638 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.475 ' CD2' ' HB2' ' A' ' 66' ' ' PRO . 97.9 m-85 -91.58 174.75 7.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.523 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -133.81 151.15 51.48 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.857 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -125.08 119.61 29.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.888 0.375 . . . . 0.0 110.109 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 p -88.08 2.17 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.651 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -102.06 -149.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.401 -175.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -75.2 -4.43 38.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.827 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 71.02 -45.8 0.62 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.455 0.702 . . . . 0.0 111.809 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 m -85.77 62.63 7.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.261 0.553 . . . . 0.0 109.58 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.1 m -84.62 165.8 17.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.487 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -82.58 114.56 21.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.462 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.5 mm -93.11 96.54 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.984 0.421 . . . . 0.0 110.45 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -120.93 -163.64 1.04 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.024 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.782 ' HZ2' ' HB2' ' A' ' 59' ' ' LYS . 9.7 mtmp? -61.12 -38.41 86.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.745 0.307 . . . . 0.0 111.556 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.7 p -88.61 -50.31 6.34 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -87.54 12.2 13.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -173.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -65.43 -31.57 72.73 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.536 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -96.83 -17.0 20.49 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.912 175.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.429 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 1.7 mmp_? -64.26 -43.2 95.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.923 0.392 . . . . 0.0 110.548 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.654 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 49.4 m -126.42 85.39 60.27 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.459 174.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.475 ' HB2' ' CD2' ' A' ' 47' ' ' TYR . 14.0 Cg_exo -68.52 -31.03 27.99 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.763 2.309 . . . . 0.0 111.974 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -68.14 -41.54 81.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.124 0.488 . . . . 0.0 109.689 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.654 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 56.8 m -64.82 -37.53 87.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.32 177.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -70.45 -36.1 73.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.21 -50.37 72.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.129 0.49 . . . . 0.0 110.032 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.8 -28.68 67.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.617 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HB3' HG12 ' A' ' 15' ' ' VAL . 20.3 tptm -59.37 -45.01 92.63 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.068 174.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.443 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 63.0 m -59.66 -50.22 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.827 176.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.669 HD12 ' HG ' ' A' ' 80' ' ' LEU . 1.7 mm? -57.46 -37.34 72.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.635 177.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.8 m -65.47 -47.82 74.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.779 -177.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.417 HG21 HD11 ' A' ' 27' ' ' LEU . 30.9 m -66.87 -22.46 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.479 -174.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.01 -0.17 3.24 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.36 -0.924 . . . . 0.0 113.671 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.443 ' SD ' ' HB3' ' A' ' 73' ' ' CYS . 82.9 mtp -70.45 132.51 45.68 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 117.107 0.454 . . . . 0.0 110.678 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.403 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 13.4 mmt180 -97.45 142.64 29.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.095 -174.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.669 ' HG ' HD12 ' A' ' 74' ' ' LEU . 96.6 mt -75.73 -34.48 60.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.752 0.787 . . . . 0.0 109.391 173.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -71.73 6.01 2.2 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.332 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' ' 79' ' ' ARG . . . -98.95 4.08 47.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.078 0.466 . . . . 0.0 110.457 176.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.689 HG23 HG22 ' A' ' 41' ' ' VAL . 5.7 p -129.62 119.92 49.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.459 0.647 . . . . 0.0 110.128 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -107.09 133.93 50.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.992 -177.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.92 -29.94 44.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.901 -174.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.56 -80.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -179.67 113.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 40.1 tpp -152.93 98.5 2.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -93.52 8.43 40.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.434 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.72 112.4 4.45 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 174.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.75 -19.59 71.47 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.369 -0.443 . . . . 0.0 113.98 -174.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -106.21 94.83 5.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.304 -0.527 . . . . 0.0 110.941 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -110.77 -138.59 0.38 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.58 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -57.51 -28.98 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.265 0.555 . . . . 0.0 110.452 174.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 73.3 m-85 -81.2 3.24 24.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.065 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.451 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -58.27 -58.25 15.58 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-O 119.747 -0.474 . . . . 0.0 113.368 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 10.4 Cg_endo -54.34 -45.5 40.52 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.844 2.363 . . . . 0.0 112.915 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.9 ptm -70.75 -30.45 66.96 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.734 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 15.3 t80 -63.75 -46.76 83.87 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.451 0.643 . . . . 0.0 109.83 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -59.96 -47.2 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.243 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -66.35 -44.89 82.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.263 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -46.25 82.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.111 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.347 178.358 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 CA--C 1.515 -0.373 0 CA-C-O 121.433 0.635 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.578 ' HG3' HD23 ' A' ' 28' ' ' LEU . 7.3 mm-40 -116.56 156.02 27.68 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.909 -176.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.456 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 7.0 mp -109.5 143.78 38.68 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.149 0.499 . . . . 0.0 110.809 172.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.497 ' SG ' HG12 ' A' ' 20' ' ' VAL . 21.8 m -60.89 129.45 90.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.984 -176.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HG2' HG23 ' A' ' 76' ' ' VAL . 58.8 Cg_endo -70.81 -0.67 8.13 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.922 2.415 . . . . 0.0 112.242 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 72' ' ' LYS . 47.6 t -100.77 -69.88 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.703 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 20.8 p -82.21 -12.8 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.779 -174.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.71 40.64 93.96 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.12 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.504 ' HB2' ' NH1' ' A' ' 62' ' ' ARG . 2.7 t70 -137.89 166.92 22.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 26.1 mtmm -57.06 145.58 30.28 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.826 0.451 . . . . 0.0 111.417 -173.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.497 HG12 ' SG ' ' A' ' 13' ' ' CYS . 20.3 m -90.43 164.11 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 111.405 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.8 t -100.99 -1.37 34.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.01 99.96 2.39 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.066 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.591 ' OH ' ' HD3' ' A' ' 103' ' ' ARG . 87.8 m-85 57.06 -151.61 0.41 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 122.376 0.27 . . . . 0.0 111.194 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.596 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 4.9 m-70 127.06 -29.48 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.639 1.976 . . . . 0.0 108.868 171.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.452 ' C ' ' H ' ' A' ' 27' ' ' LEU . 95.9 m-85 -138.62 -151.69 0.39 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.78 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 31.48 1.2 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.993 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 25' ' ' TYR . 1.7 pp 176.55 -178.35 0.15 Allowed 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.578 HD23 ' HG3' ' A' ' 11' ' ' GLU . 6.6 mp -86.17 119.75 26.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.054 0.454 . . . . 0.0 110.808 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.596 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 30.9 p -128.11 172.61 10.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.156 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 25.5 p -111.13 -179.26 3.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 176.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -65.94 -27.38 68.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.707 0.289 . . . . 0.0 110.456 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.419 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 18.8 t -68.12 -39.48 82.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.299 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.427 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 74.3 m -67.69 -52.42 38.01 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.423 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -61.15 -37.86 84.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.829 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -62.62 -56.83 19.15 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.406 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -63.95 -38.62 91.76 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.655 0.264 . . . . 0.0 111.362 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.0 t80 -58.53 -52.74 64.39 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . 23.9 mtpp -62.66 -39.65 94.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.313 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 33.9 mmt180 -49.94 -50.39 46.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.769 0.318 . . . . 0.0 110.835 176.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 m -65.66 -57.99 6.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.719 HG21 HG22 ' A' ' 83' ' ' VAL . 16.2 m -65.01 -45.36 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -79.05 -35.93 41.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.017 0.437 . . . . 0.0 111.933 -172.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.582 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -81.88 -4.69 57.14 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 61.62 40.42 13.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.964 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -92.73 158.04 16.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.791 -174.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -129.59 95.82 4.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.611 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -82.77 160.64 22.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.411 -176.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -143.44 -175.74 4.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.219 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.561 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 53.7 t -135.24 146.89 49.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.7 p -90.09 -18.37 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.494 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -91.51 -93.08 0.14 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.165 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 12.7 p -122.81 -2.6 8.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.898 -173.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.561 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 28.2 mt-30 72.32 -38.42 0.42 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.225 0.61 . . . . 0.0 111.738 -176.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.2 m -101.85 72.45 1.35 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.351 0.596 . . . . 0.0 109.404 173.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 56.8 m -100.21 170.71 8.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.739 -177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -89.97 143.61 26.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.133 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.69 107.21 21.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.32 0.581 . . . . 0.0 110.186 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 37.7 t70 -124.36 179.85 4.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.013 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.429 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 27.2 ttpp -56.69 -36.24 69.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.055 0.455 . . . . 0.0 110.823 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.1 p -84.23 -28.01 27.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.04 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -103.97 -8.86 19.31 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.504 ' NH1' ' HB2' ' A' ' 18' ' ' ASP . 34.7 ptt180 -71.57 -20.39 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.814 0.34 . . . . 0.0 111.153 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -97.12 -6.4 35.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.012 0.434 . . . . 0.0 110.617 173.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.496 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 67.8 mtp180 -90.94 -62.63 1.41 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.732 -174.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.622 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 77.1 m -94.11 103.15 9.79 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -176.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 56.6 Cg_endo -74.53 -42.67 0.58 Allowed 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.168 1.912 . . . . 0.0 111.819 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.31 -46.39 90.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 0.0 110.295 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.622 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 25.6 m -63.37 -39.59 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 62' ' ' ARG . 61.8 ttt180 -66.48 -40.62 89.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.759 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.6 -50.78 71.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.063 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -59.09 -41.87 89.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.323 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.635 ' HB3' HG13 ' A' ' 15' ' ' VAL . 22.2 tptp -53.23 -44.45 68.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.778 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.404 ' SG ' HG12 ' A' ' 15' ' ' VAL . 78.8 m -58.88 -56.56 20.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.611 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.88 -29.18 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.524 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -65.8 -50.03 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 111.518 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.427 HG23 ' HG2' ' A' ' 14' ' ' PRO . 33.3 m -71.47 -22.08 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.658 -174.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.43 5.46 2.93 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.216 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 85.4 mtp -71.0 109.59 5.19 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.451 ' HB3' ' OE1' ' A' ' 81' ' ' GLU . 31.5 mmt180 -76.13 135.29 39.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.72 -173.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.546 ' O ' HG13 ' A' ' 83' ' ' VAL . 24.7 tp -72.13 -34.18 68.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.678 -176.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.451 ' OE1' ' HB3' ' A' ' 79' ' ' ARG . 1.2 pm0 -76.05 6.49 5.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.624 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.415 ' HB3' ' HD2' ' A' ' 25' ' ' TYR . . . -85.83 -2.76 58.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.059 0.457 . . . . 0.0 110.587 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.719 HG22 HG21 ' A' ' 41' ' ' VAL . 12.6 p -102.11 142.33 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.902 175.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.451 ' HD3' ' HB3' ' A' ' 88' ' ' MET . 65.6 mtt180 -108.87 122.12 46.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -176.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.7 -21.8 32.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.123 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 13.3 m-20 -74.85 -73.35 0.25 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.419 ' HG3' ' HG3' ' A' ' 89' ' ' ARG . 4.5 tpp180 -179.75 -91.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.894 170.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.451 ' HB3' ' HD3' ' A' ' 84' ' ' ARG . 53.8 tpp 45.82 86.7 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.526 0.517 . . . . 0.0 110.582 -172.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.419 ' HG3' ' HG3' ' A' ' 87' ' ' ARG . 67.1 mtp180 -76.31 61.13 1.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.63 -172.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.39 -177.63 17.87 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.45 175.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.25 165.33 19.72 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.314 -0.469 . . . . 0.0 113.3 174.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.13 175.58 5.43 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.429 ' OD1' ' HG3' ' A' ' 94' ' ' LYS . 25.2 t-20 -164.14 -70.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.922 0.391 . . . . 0.0 110.347 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HG3' ' OD1' ' A' ' 93' ' ' ASN . 54.7 mttp -84.13 -35.15 23.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.593 0.711 . . . . 0.0 109.88 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.435 ' HB3' ' HD2' ' A' ' 99' ' ' TYR . 71.5 m-85 -87.59 52.2 2.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.426 -178.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.04 -72.08 1.16 Allowed Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.427 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.12 -47.67 19.2 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.179 2.586 . . . . 0.0 112.885 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -63.93 -29.06 70.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.631 0.253 . . . . 0.0 111.351 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.455 ' OH ' ' HB3' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -69.89 -55.97 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.377 -178.275 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -64.73 -30.36 71.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.672 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -63.19 -47.94 80.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.095 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.08 -44.3 97.57 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.749 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.591 ' HD3' ' OH ' ' A' ' 23' ' ' TYR . 15.4 tpt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.09 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.191 0.519 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 20' ' ' VAL . 47.9 mt-10 -140.63 158.61 43.72 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.49 138.99 33.25 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.284 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 49.5 t -62.74 118.31 40.4 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.905 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.4 -11.52 23.2 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.889 2.393 . . . . 0.0 112.599 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.455 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 95.0 t -85.9 -66.01 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.966 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.48 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 25.9 p -91.59 -14.19 30.68 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -171.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.18 43.48 47.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.941 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.557 ' HB2' ' NH1' ' A' ' 62' ' ' ARG . 2.5 t70 -141.43 160.25 40.52 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -57.14 135.46 56.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.834 0.349 . . . . 0.0 111.556 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.591 HG12 ' HB3' ' A' ' 28' ' ' LEU . 35.1 m -80.57 146.52 7.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 p -91.18 -13.2 33.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.254 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.17 -159.81 33.28 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.686 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -108.1 113.44 26.58 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.484 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 76.1 m-70 -132.56 152.67 51.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.693 -176.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 65.74 -82.96 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.66 0.6 . . . . 0.0 111.272 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.87 19.71 0.43 Allowed Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.777 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.6 173.29 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.0 111.102 -175.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.591 ' HB3' HG12 ' A' ' 20' ' ' VAL . 3.7 mm? -72.63 117.78 14.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.761 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.484 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -138.75 153.31 48.45 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.541 -173.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.8 p -97.74 162.99 13.0 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.457 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -61.63 -33.11 73.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.952 0.406 . . . . 0.0 110.747 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.3 t -55.78 -52.96 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.928 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.6 m -63.78 -50.41 69.12 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -174.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -67.15 -23.18 65.76 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.115 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.36 -50.59 49.29 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.397 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -69.86 -40.77 75.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.612 0.244 . . . . 0.0 110.594 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -53.29 -55.03 27.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.663 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -71.42 -31.12 66.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.876 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -62.71 -41.74 99.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.599 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.5 m -65.45 -48.71 71.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.419 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.582 HG13 HG13 ' A' ' 83' ' ' VAL . 54.8 t -61.67 -51.24 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.048 -179.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -59.34 -40.83 87.58 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.44 ' CB ' ' HG3' ' A' ' 45' ' ' LYS . 51.3 m-80 -83.97 -3.5 58.03 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.702 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.48 31.42 21.01 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.374 0.607 . . . . 0.0 109.543 -176.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HG3' ' CB ' ' A' ' 43' ' ' ASN . 85.4 mttt -70.16 111.59 5.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.473 -174.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -102.51 89.48 3.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.609 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 94.4 m-85 -72.41 165.66 24.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.75 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -139.93 146.36 39.09 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.4 t -114.56 16.18 17.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.921 0.391 . . . . 0.0 110.655 -173.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.434 HG22 ' HG3' ' A' ' 51' ' ' GLU . 28.1 m 65.36 -76.27 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.534 -173.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.434 ' HG3' HG22 ' A' ' 50' ' ' THR . 45.2 mt-10 -131.54 171.85 12.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 p 47.46 72.39 0.26 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.543 0.687 . . . . 0.0 110.496 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -66.2 -19.54 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.106 -174.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.1 p -113.89 79.59 1.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.794 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.1 m -81.05 167.28 19.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.56 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -75.23 110.81 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.141 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.2 mm -80.6 103.76 8.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.902 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -111.15 175.45 5.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.837 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -59.3 -26.49 65.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.388 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.6 p -88.97 -50.21 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.585 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -80.91 -0.29 38.54 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -171.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.557 ' NH1' ' HB2' ' A' ' 18' ' ' ASP . 30.3 ptt180 -73.1 -14.35 61.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.042 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -96.67 -6.86 35.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.893 0.378 . . . . 0.0 110.684 170.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.536 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 12.3 mtp180 -92.31 -54.02 3.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.758 -174.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 85.1 m -105.49 100.22 25.16 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.766 0.317 . . . . 0.0 111.587 -177.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 16.9 Cg_exo -68.12 -49.76 0.92 Allowed 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.726 2.284 . . . . 0.0 111.783 178.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.472 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 90.3 t80 -62.34 -42.89 99.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.747 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 56.7 m -64.88 -35.57 81.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.73 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -72.46 -34.1 67.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.058 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -64.04 -49.68 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.206 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -67.7 -29.05 68.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.01 179.054 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.455 ' HG3' ' HA ' ' A' ' 15' ' ' VAL . 42.4 tptt -60.34 -45.83 92.08 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.497 173.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 75.0 m -59.57 -41.7 90.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.257 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.33 -38.68 81.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.118 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.2 m -55.26 -46.38 76.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.956 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.6 m -77.5 -15.89 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.075 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.73 30.05 4.74 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 119.945 -1.121 . . . . 0.0 114.065 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 66.0 mtp -73.56 106.14 5.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 172.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -66.41 126.08 27.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.327 -169.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.19 -22.87 65.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.194 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -65.12 -23.42 67.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.022 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.92 -34.07 39.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.276 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.582 HG13 HG13 ' A' ' 41' ' ' VAL . 2.8 p -78.97 97.22 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 110.218 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -92.73 104.67 16.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.798 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.64 -1.0 9.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.426 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -83.08 9.91 9.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.247 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 71.5 17.87 5.59 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.659 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 79.2 mmm -83.7 104.47 13.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.441 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -85.79 58.31 4.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.268 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.09 -176.55 31.14 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.448 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.1 69.72 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -83.22 85.07 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -135.57 -73.87 0.45 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -65.75 -31.44 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.187 0.517 . . . . 0.0 110.614 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -85.83 -6.13 59.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.615 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.91 -68.17 1.41 Allowed Glycine 0 C--N 1.331 0.291 0 O-C-N 123.487 0.492 . . . . 0.0 113.365 -175.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -53.1 -53.23 7.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.74 2.293 . . . . 0.0 113.235 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.2 ptm -62.59 -37.7 87.25 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -70.28 -49.23 51.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.968 0.414 . . . . 0.0 110.041 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -59.55 -42.83 93.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.201 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -66.25 -48.75 69.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.953 -176.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.12 -47.75 84.81 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.045 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.374 179.33 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 CA--C 1.518 -0.285 0 CA-C-O 121.271 0.558 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -128.75 151.37 49.63 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.358 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.1 mt -107.85 135.2 49.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.08 0.467 . . . . 0.0 110.948 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.67 114.99 18.28 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.355 176.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.607 ' HB2' HG13 ' A' ' 76' ' ' VAL . 24.1 Cg_endo -61.13 -14.65 34.82 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.013 2.475 . . . . 0.0 112.856 -174.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.588 HG11 ' SG ' ' A' ' 73' ' ' CYS . 61.7 t -85.11 -61.68 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.048 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.822 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 28.2 p -96.17 -16.7 21.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -170.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.87 60.34 4.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.686 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.491 ' OD1' ' HG2' ' A' ' 19' ' ' LYS . 1.8 t0 -159.78 -170.32 2.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.491 ' HG2' ' OD1' ' A' ' 18' ' ' ASP . 35.8 mmtm -57.47 163.29 2.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.046 0.45 . . . . 0.0 111.64 -176.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.3 m -127.93 155.55 39.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.746 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.5 m -92.33 -5.19 52.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.297 0.57 . . . . 0.0 109.905 176.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' LEU . . . 118.46 -156.94 15.44 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.444 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -70.57 106.13 3.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.203 0.525 . . . . 0.0 111.004 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.477 ' HB3' ' OG1' ' A' ' 29' ' ' THR . 82.0 t60 -136.45 112.86 9.95 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.147 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 71.46 20.67 4.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.644 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.65 -15.17 63.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.177 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.3 mt -114.59 161.24 18.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.725 0.298 . . . . 0.0 110.903 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 2.7 mm? -80.3 94.1 6.04 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 171.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.75 HG23 ' SD ' ' A' ' 78' ' ' MET . 44.5 p -126.16 160.25 30.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.838 0.352 . . . . 0.0 110.929 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.23 172.42 6.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.086 -174.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.716 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -65.03 -36.84 85.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.261 -178.314 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 m -60.95 -42.53 98.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.111 0.481 . . . . 0.0 110.867 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.8 m -75.83 -42.67 49.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.222 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.716 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 58.6 pttt -62.04 -36.02 80.34 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.152 178.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' A' ' 39' ' ' ARG . . . -63.68 -55.18 26.51 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.495 177.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.453 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 72.3 t80 -59.56 -38.52 81.32 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 111.286 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -59.45 -52.29 66.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.521 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' HG2' HG12 ' A' ' 83' ' ' VAL . 7.4 mtmp? -65.79 -38.39 88.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.74 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 86.8 mtt180 -55.89 -44.95 78.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -66.62 -51.24 58.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.9 -49.67 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.92 -176.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -70.9 -29.58 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -87.88 1.89 52.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.0 m120 59.55 39.52 21.48 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.61 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -91.37 150.27 21.35 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.666 -174.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -145.26 94.21 2.49 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.917 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -70.81 169.44 14.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.083 -174.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 p -119.41 171.27 8.45 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.943 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -121.32 -49.59 2.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.653 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 m 72.29 -43.85 0.57 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.899 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.93 -54.95 38.77 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 12.6 t -163.06 -27.9 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 52' ' ' SER . 72.9 mt-30 77.64 -47.59 0.48 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.586 0.754 . . . . 0.0 111.27 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.9 t -87.94 67.98 9.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.471 0.653 . . . . 0.0 109.359 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.8 m -93.15 155.55 17.4 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.581 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -83.38 83.76 7.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.84 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.636 HD11 ' HB2' ' A' ' 68' ' ' CYS . 51.0 mm -64.13 99.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.254 0.55 . . . . 0.0 110.863 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -125.73 -161.71 1.06 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.285 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 59' ' ' LYS . 39.4 ttmt -58.21 -34.69 70.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.953 0.158 . . . . 0.0 111.377 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.7 p -88.85 -50.01 6.46 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -78.28 -11.0 59.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -172.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.822 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 29.2 ptt180 -63.16 -25.26 68.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 111.371 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -96.78 -9.17 29.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.253 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -84.49 -33.55 23.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.826 0.346 . . . . 0.0 111.248 -175.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 72.3 m -132.75 101.56 14.09 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.128 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.42 -40.47 57.38 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.571 2.181 . . . . 0.0 111.497 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -59.56 -51.21 70.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.574 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.636 ' HB2' HD11 ' A' ' 57' ' ' ILE . 57.4 m -65.41 -35.19 80.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.939 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 73.6 ttt180 -68.74 -38.12 79.92 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.977 0.417 . . . . 0.0 110.437 177.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.507 ' O ' HD12 ' A' ' 74' ' ' LEU . 64.6 t80 -63.45 -53.49 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.875 176.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.95 -27.28 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.552 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.465 ' HD3' ' HB ' ' A' ' 57' ' ' ILE . 21.1 tptm -63.49 -43.87 96.02 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.158 176.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.588 ' SG ' HG11 ' A' ' 15' ' ' VAL . 61.2 m -59.16 -48.53 81.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.479 0.656 . . . . 0.0 109.784 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 70' ' ' PHE . 9.1 mp -62.03 -40.31 95.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.879 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -54.58 -49.34 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.967 0.413 . . . . 0.0 110.821 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.607 HG13 ' HB2' ' A' ' 14' ' ' PRO . 35.5 m -78.55 -6.05 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.04 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.58 41.55 4.73 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.411 -0.899 . . . . 0.0 113.906 170.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.75 ' SD ' HG23 ' A' ' 29' ' ' THR . 26.1 mmm -67.27 137.3 56.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.893 0.378 . . . . 0.0 110.161 170.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -73.99 115.17 13.14 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.796 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.493 HD21 ' HG ' ' A' ' 74' ' ' LEU . 4.5 mm? -72.64 -30.49 64.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.46 176.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.534 ' HG2' ' HZ ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -82.84 -12.82 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.899 -177.57 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.42 -19.8 52.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.163 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.442 HG12 ' HG2' ' A' ' 38' ' ' LYS . 47.7 t -57.13 109.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.352 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' A' ' 84' ' ' ARG . 5.4 mmp_? -78.21 77.83 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.196 0.522 . . . . 0.0 110.864 -178.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.51 -3.01 38.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.014 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -79.6 1.74 24.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.336 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 66.64 17.66 10.64 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.957 0.884 . . . . 0.0 110.12 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 90.4 mtp -98.48 117.78 33.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.776 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -79.87 59.77 3.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.64 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.17 -119.23 0.78 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.311 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.1 26.42 34.14 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.516 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -77.37 86.52 3.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.855 -177.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -157.1 -38.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.819 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -59.25 -44.48 92.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.352 0.596 . . . . 0.0 110.394 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.534 ' HZ ' ' HG2' ' A' ' 81' ' ' GLU . 46.3 m-85 -101.21 11.78 38.74 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.327 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.5 ' O ' ' HG2' ' A' ' 100' ' ' LYS . . . -55.94 -51.47 55.22 Favored Glycine 0 CA--C 1.524 0.623 0 CA-C-N 115.478 -0.783 . . . . 0.0 113.396 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.71 -51.05 11.3 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.653 2.235 . . . . 0.0 112.733 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 25.3 ptm -70.87 -30.43 66.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.007 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -56.36 22.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 111.066 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 96' ' ' GLY . 7.0 ptpp? -68.34 -39.14 81.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -178.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 101' ' ' ARG . 11.8 ttm180 -65.71 -56.41 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.414 -176.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -33.82 74.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -176.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 103' ' ' ARG . 11.7 ttm180 . . . . . 0 C--N 1.332 -0.156 0 C-N-CA 120.567 -0.453 . . . . 0.0 109.842 176.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -73.23 155.84 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.771 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.9 mt -112.94 143.86 43.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.028 0.442 . . . . 0.0 110.772 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 t -69.06 110.66 6.51 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 174.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.9 11.87 0.29 Allowed 'Trans proline' 0 N--CA 1.476 0.481 0 C-N-CA 123.428 2.752 . . . . 0.0 114.422 -168.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 72' ' ' LYS . 2.9 p -112.28 -62.62 2.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.024 0.44 . . . . 0.0 111.133 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.1 p -91.79 -20.4 21.55 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.444 -174.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.06 26.07 35.39 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.143 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -96.23 161.65 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -72.01 139.51 48.59 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.3 m -73.63 151.84 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.093 0.473 . . . . 0.0 111.831 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.5 t -108.95 -14.28 14.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.16 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.39 -177.77 33.22 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.546 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -78.78 120.11 22.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.718 0.295 . . . . 0.0 110.941 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.5 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 61.4 m-70 -136.75 118.49 15.06 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.425 ' CE1' HG11 ' A' ' 83' ' ' VAL . 42.4 m-85 67.24 28.93 7.9 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.171 176.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.02 -23.69 35.0 Favored Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.665 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mt -112.29 147.94 35.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.905 0.383 . . . . 0.0 111.643 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.33 114.54 12.82 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 171.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.5 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 20.7 p -136.12 167.34 21.44 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.743 -174.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 p -92.19 157.5 16.67 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.887 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -58.86 -28.2 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.195 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -54.28 30.21 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.117 175.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.5 m -78.9 -32.37 45.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.039 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 31.7 ttpt -54.99 -51.2 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.048 0.452 . . . . 0.0 110.095 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.48 -47.53 83.1 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.418 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.01 -42.57 94.58 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.678 0.275 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.606 ' O ' HG21 ' A' ' 41' ' ' VAL . 12.1 t80 -61.04 -49.35 77.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.001 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 7.6 mtmp? -58.1 -46.45 85.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 O-C-N 123.231 0.332 . . . . 0.0 110.937 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -54.01 -43.4 70.03 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.993 0.425 . . . . 0.0 110.564 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.4 m -70.34 -57.13 5.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.705 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.743 HG22 HG12 ' A' ' 83' ' ' VAL . 17.3 m -68.69 -43.15 83.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -172.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.14 -39.84 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.653 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 46.0 m-80 -93.92 -3.35 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.328 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 59.3 38.3 23.21 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.699 0.761 . . . . 0.0 109.957 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.653 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 28.6 mtpp -68.41 125.87 27.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.602 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -107.92 111.07 22.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.114 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.589 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 71.8 m-85 -85.82 172.09 11.04 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.7 m -141.55 122.76 14.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.278 0.561 . . . . 0.0 111.382 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.43 -44.31 2.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.625 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 p 53.86 173.51 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.116 0.967 . . . . 0.0 112.911 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 65.7 -59.57 0.29 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.689 0.796 . . . . 0.0 111.524 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 m -139.27 92.4 2.58 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -67.83 -14.47 62.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.053 0.454 . . . . 0.0 110.526 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -110.64 83.96 1.85 Allowed 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.365 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 82.8 m -94.35 165.64 12.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.123 175.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.625 ' HZ2' ' HB2' ' A' ' 56' ' ' LYS . 9.7 mtmp? -73.9 101.09 3.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.723 -178.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' A' ' 68' ' ' CYS . 47.0 mm -76.02 113.35 14.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.576 0.703 . . . . 0.0 110.094 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 26.0 t70 -140.53 -176.94 4.82 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -176.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.525 ' HA ' ' HD2' ' A' ' 62' ' ' ARG . 37.3 mtpt -74.69 -16.03 60.77 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.617 0.722 . . . . 0.0 109.362 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.4 p -79.9 -49.97 11.15 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.436 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.438 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 44.3 mt-30 -96.95 18.53 14.48 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -175.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.525 ' HD2' ' HA ' ' A' ' 59' ' ' LYS . 11.1 ptm85 -64.4 -39.47 93.92 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.601 0.239 . . . . 0.0 111.6 -177.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -95.61 -18.49 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.438 ' HB2' ' HA ' ' A' ' 61' ' ' GLN . 76.3 mtp180 -71.21 -36.79 72.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.295 -174.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.447 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 83.2 m -126.81 84.32 63.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 120.797 0.332 . . . . 0.0 111.035 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.05 -38.41 28.46 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.581 2.187 . . . . 0.0 111.383 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.589 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 74.4 t80 -65.25 -47.67 75.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.391 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.533 ' HB2' HD13 ' A' ' 57' ' ' ILE . 43.3 m -64.26 -35.54 81.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.07 -46.24 90.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.933 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -61.73 -45.16 95.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.271 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -56.54 -37.83 71.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.265 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.936 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 14.0 ttmt -75.56 -27.62 58.69 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.268 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 84.1 m -57.07 -45.55 83.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 173.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.666 ' HG ' HD23 ' A' ' 80' ' ' LEU . 7.2 mp -72.63 -32.66 66.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 174.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.936 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 2.9 m -54.65 -47.95 72.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.694 175.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.6 m -80.03 -30.39 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.377 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.47 34.98 0.68 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.321 -0.943 . . . . 0.0 114.086 171.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 87.5 mtp -78.74 121.65 25.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.327 0.563 . . . . 0.0 109.537 175.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -68.37 125.4 26.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.39 -172.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.666 HD23 ' HG ' ' A' ' 74' ' ' LEU . 3.4 mm? -75.36 -46.41 33.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.282 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -77.33 3.03 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.489 -176.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.39 -29.44 33.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.725 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.743 HG12 HG22 ' A' ' 41' ' ' VAL . 19.2 m -71.94 144.11 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-O 121.177 0.513 . . . . 0.0 110.879 -178.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.407 ' CZ ' ' HA3' ' A' ' 91' ' ' GLY . 56.9 mtt180 -115.21 89.36 3.08 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.297 175.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.68 -16.31 25.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.252 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.24 -1.13 11.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.571 175.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? 66.44 85.47 0.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.833 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 57.5 tpp -142.57 121.43 12.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.231 176.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -80.92 60.0 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.237 0.541 . . . . 0.0 111.31 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.72 -127.95 2.01 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.407 ' HA3' ' CZ ' ' A' ' 84' ' ' ARG . . . 73.9 48.51 16.1 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.282 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -85.81 87.49 7.41 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -120.08 -62.42 1.48 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.334 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.827 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.13 -42.05 98.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.105 -175.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.624 ' O ' ' HG2' ' A' ' 98' ' ' MET . 67.0 m-85 -120.33 19.09 12.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.54 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.58 -60.36 7.52 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.432 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.74 -32.12 82.91 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 123.211 2.607 . . . . 0.0 114.17 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.624 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 25.5 ptm -64.21 -29.01 70.14 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.59 0.233 . . . . 0.0 111.24 -174.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -60.89 -54.79 40.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.166 0.508 . . . . 0.0 111.122 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -71.88 -20.76 61.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.637 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 98' ' ' MET . 35.2 ttp180 -61.87 -55.48 29.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -34.57 72.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.811 178.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 3.6 mmp_? . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.749 174.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 N--CA 1.463 0.204 0 CA-C-O 120.999 0.428 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.598 ' HG2' HD22 ' A' ' 28' ' ' LEU . 32.3 mp0 -92.19 145.17 24.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.184 0.516 . . . . 0.0 110.582 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -136.74 155.42 49.87 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.41 110.46 5.3 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.19 12.65 0.98 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.996 2.464 . . . . 0.0 112.823 -173.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.5 t -104.09 -57.51 4.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.48 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.417 ' HA ' HG23 ' A' ' 57' ' ' ILE . 14.2 p -111.07 -12.9 14.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -173.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.41 27.79 35.09 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.735 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -97.21 170.24 9.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.561 -0.376 . . . . 0.0 110.158 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.504 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 37.9 mtmm -72.37 150.32 43.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.688 0.28 . . . . 0.0 110.268 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.2 m -78.03 148.19 6.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.117 0.484 . . . . 0.0 111.345 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -106.99 7.17 29.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.284 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.16 -178.24 17.02 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.968 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' HB3' ' HH ' ' A' ' 99' ' ' TYR . 12.7 m-85 -59.96 118.56 6.41 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 176.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.557 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 7.9 m-70 -134.48 112.45 10.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.504 0.192 . . . . 0.0 110.974 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 74.35 -54.0 0.68 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.638 0.775 . . . . 0.0 112.03 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.9 -39.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.31 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.963 HD22 HG12 ' A' ' 76' ' ' VAL . 5.9 mp -118.45 174.8 6.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.598 HD22 ' HG2' ' A' ' 11' ' ' GLU . 6.1 mp -81.62 105.6 12.9 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 171.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.557 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 60.8 p -121.21 171.21 8.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.153 -176.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 11.5 p -94.55 156.47 16.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.622 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 55.1 mm-40 -57.32 -26.86 61.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.728 174.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 m -59.28 -47.69 84.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.755 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 89.0 m -82.53 -35.2 27.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 33.4 tttm -56.66 -46.02 81.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.968 0.413 . . . . 0.0 110.739 173.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.13 72.45 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.122 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -57.37 -43.78 83.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.942 0.401 . . . . 0.0 110.992 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.587 ' O ' HG21 ' A' ' 41' ' ' VAL . 51.5 t80 -59.15 -51.53 69.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.134 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 38' ' ' LYS . 16.2 mtpp -59.15 -44.12 92.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.831 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -54.84 -43.07 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 110.588 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.8 m -69.92 -55.45 9.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.601 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.786 HG22 HG22 ' A' ' 83' ' ' VAL . 13.8 m -63.08 -43.16 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 10.4 mm-40 -70.24 -24.7 63.12 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -174.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.63 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 56.6 m-80 -107.16 2.5 24.85 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.817 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' HD21 ' A' ' 44' ' ' ASN . 0.9 OUTLIER 59.84 40.1 19.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.334 0.588 . . . . 0.0 109.625 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.63 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 27.7 mtpp -76.47 110.1 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.29 -173.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -103.72 110.83 23.07 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.712 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 60.1 m-85 -88.56 -175.0 4.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.737 -175.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -142.74 159.16 42.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.291 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.664 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 42.3 t -145.86 152.83 40.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.1 p -89.87 178.59 6.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.53 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 64.35 -87.12 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.76 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.5 p -145.79 5.63 1.03 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.35 -176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.664 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 23.3 mt-30 68.38 3.76 3.91 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.319 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -91.24 70.25 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.422 0.63 . . . . 0.0 110.586 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 38.7 m -108.24 163.84 12.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.148 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.563 ' N ' ' HD3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -107.91 143.32 36.71 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.686 HG13 ' HA ' ' A' ' 69' ' ' ARG . 43.8 mm -101.81 121.1 52.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.195 0.521 . . . . 0.0 110.473 -177.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.473 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 17.9 t70 -135.5 -177.03 4.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.936 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -54.12 -43.75 70.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.356 0.598 . . . . 0.0 110.848 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 t -86.42 -24.96 25.5 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.336 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.473 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 45.5 mt-30 -95.48 4.3 53.38 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.157 -0.34 . . . . 0.0 111.895 -174.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -72.67 -28.6 62.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.418 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -95.6 -8.21 35.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.646 0.26 . . . . 0.0 111.449 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.519 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 72.2 mtp180 -79.16 -63.4 1.43 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -174.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.453 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 80.6 m -108.9 94.64 15.02 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.78 0.324 . . . . 0.0 110.856 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 18.9 Cg_exo -66.66 -35.08 30.03 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.595 2.197 . . . . 0.0 111.501 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.712 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 61.9 t80 -68.57 -46.09 70.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.457 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 53.8 m -62.57 -38.54 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.154 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.686 ' HA ' HG13 ' A' ' 57' ' ' ILE . 66.7 ttt180 -68.44 -41.25 80.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.709 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.34 -47.59 85.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.184 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -63.39 -36.75 84.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.527 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -40.85 96.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.438 177.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 71.0 m -61.65 -48.46 80.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.037 0.446 . . . . 0.0 110.235 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.566 ' HA ' ' O ' ' A' ' 78' ' ' MET . 71.9 mt -64.4 -48.61 74.75 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.737 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.0 m -50.53 -44.13 56.25 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.731 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.963 HG12 HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -65.41 -26.96 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.038 -176.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.471 ' HA3' HD11 ' A' ' 27' ' ' LEU . . . 134.79 -0.9 3.81 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.584 -1.294 . . . . 0.0 113.41 177.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.566 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 88.2 mtp -77.29 120.87 22.92 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.554 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 22.7 mmt180 -94.4 149.74 20.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.842 0.353 . . . . 0.0 111.125 -173.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.62 -36.77 76.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.397 0.618 . . . . 0.0 110.294 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -82.81 5.24 22.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.19 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.554 ' HB2' ' HB2' ' A' ' 79' ' ' ARG . . . -88.86 -20.04 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.786 HG22 HG22 ' A' ' 41' ' ' VAL . 2.4 p -93.77 118.97 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.132 0.492 . . . . 0.0 110.836 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 88' ' ' MET . 28.1 tpt180 -70.59 105.11 3.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.946 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.36 -26.16 35.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.591 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.501 ' HB3' ' NE ' ' A' ' 84' ' ' ARG . 5.2 t70 -51.67 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.599 177.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 171.89 -37.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.634 0.374 . . . . 0.0 110.24 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.509 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 85.5 mmm -52.86 120.02 5.29 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.955 -177.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -79.95 59.71 3.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.015 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.56 113.39 3.65 Favored Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.886 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.639 ' O ' ' HD2' ' A' ' 92' ' ' ARG . . . -50.44 -49.28 39.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.351 -0.452 . . . . 0.0 112.139 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.639 ' HD2' ' O ' ' A' ' 91' ' ' GLY . 19.8 mmm180 -123.38 129.56 51.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -104.32 -70.79 0.76 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.414 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -113.43 -40.77 3.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.125 0.488 . . . . 0.0 110.393 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.44 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 81.5 m-85 -84.62 54.39 3.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.791 -173.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.462 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -76.78 -59.79 3.12 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.872 177.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 9.3 Cg_endo -52.53 -52.68 8.35 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.169 2.579 . . . . 0.0 113.548 -177.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.8 ptm -60.54 -29.92 69.43 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.851 0.358 . . . . 0.0 111.102 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.485 ' HH ' ' HB3' ' A' ' 23' ' ' TYR . 1.1 t80 -71.07 -48.84 50.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.545 0.688 . . . . 0.0 109.611 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -62.81 -41.95 99.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.656 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -63.68 -45.52 89.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.277 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.77 -46.97 87.28 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.236 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.826 179.417 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.96 157.66 31.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.771 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.6 mt -98.45 144.42 27.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.195 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.1 m -65.42 127.36 92.88 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.095 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.55 -3.59 12.18 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.355 2.036 . . . . 0.0 111.947 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.8 t -93.79 -65.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.746 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.49 ' HG ' ' CG ' ' A' ' 18' ' ' ASP . 7.5 p -94.92 -28.64 15.08 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -173.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.64 18.25 33.28 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.67 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.49 ' CG ' ' HG ' ' A' ' 16' ' ' CYS . 2.4 p30 -119.3 166.25 13.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.295 0.548 . . . . 0.0 110.528 176.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.704 ' HZ3' ' HB3' ' A' ' 19' ' ' LYS . 10.2 mtpm? -51.61 129.56 26.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.305 0.574 . . . . 0.0 112.414 -175.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -69.14 152.81 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.818 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -98.15 5.57 48.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.401 0.62 . . . . 0.0 109.784 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.68 -172.15 15.72 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.88 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.556 ' HB3' ' OH ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -71.9 128.55 36.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 177.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.47 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 24.0 m-70 -136.72 -104.38 0.2 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.695 0.283 . . . . 0.0 111.261 176.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -83.72 81.93 8.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.855 0.36 . . . . 0.0 111.109 -174.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.55 -18.17 30.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.386 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -164.81 -171.08 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.022 0.411 . . . . 0.0 110.564 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 mp -76.78 119.55 20.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.183 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.47 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 2.0 p -144.89 154.35 42.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.938 -178.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.0 p -88.83 173.47 8.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.851 0.358 . . . . 0.0 110.29 177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.47 -29.78 70.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.215 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -66.2 -38.79 88.85 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.677 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.6 m -60.95 -58.72 7.26 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.628 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -71.33 -21.57 62.03 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.132 -178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.18 -58.42 11.76 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.811 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -68.42 -41.03 80.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.653 0.264 . . . . 0.0 111.001 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -56.12 -52.47 64.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.232 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.632 ' HA ' HG21 ' A' ' 41' ' ' VAL . 51.2 pttt -73.88 -34.42 64.45 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.917 -176.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -53.01 -44.2 67.12 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.252 0.549 . . . . 0.0 110.431 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.1 m -67.42 -53.98 24.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.441 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.632 HG21 ' HA ' ' A' ' 38' ' ' LYS . 15.9 m -64.34 -43.44 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.502 ' OE1' ' HA ' ' A' ' 85' ' ' ALA . 17.5 mm-40 -63.45 -23.78 67.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.345 . . . . 0.0 111.723 -176.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -106.54 7.61 30.91 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.63 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.4 31.53 21.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.426 176.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -81.98 136.15 35.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.796 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -127.04 122.76 35.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.828 174.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -98.15 158.42 15.56 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.145 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.9 m -126.21 123.57 38.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.526 ' SG ' ' HG3' ' A' ' 53' ' ' GLN . 18.2 t -115.36 4.14 14.32 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 175.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 44.9 m 72.64 109.02 0.07 Allowed 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.702 -178.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 50' ' ' THR . 10.2 mm-40 68.59 -170.21 0.18 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.266 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 17.6 m -73.99 -32.59 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.43 -177.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.619 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 14.6 mm100 73.15 -53.15 0.7 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 172.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 m 61.67 29.59 18.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.344 0.403 . . . . 0.0 110.701 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.619 ' SG ' ' HB3' ' A' ' 53' ' ' GLN . 60.3 m -57.78 139.67 53.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.542 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.94 107.18 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.149 0.499 . . . . 0.0 111.032 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.1 mm -77.37 116.6 21.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.745 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 15.4 t70 -143.62 -163.4 1.65 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.616 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 33.5 mtmm -70.3 -23.65 62.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.166 0.508 . . . . 0.0 110.177 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.6 p -81.48 -50.54 9.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.509 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -102.36 8.79 40.16 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -170.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.616 ' NE ' ' HA ' ' A' ' 59' ' ' LYS . 11.1 ptp180 -53.67 -42.67 68.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -7.68 33.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.669 0.271 . . . . 0.0 111.48 -176.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -74.93 -43.13 55.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.431 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.564 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 68.3 m -119.69 91.49 44.98 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.011 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.39 -41.7 55.76 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.614 2.21 . . . . 0.0 111.722 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -47.0 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.564 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 40.5 m -67.43 -37.69 83.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.556 -178.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -66.77 -37.3 84.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.322 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.37 -56.73 18.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.113 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.66 -35.49 72.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -58.24 -43.41 87.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.573 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 66.2 m -60.38 -51.11 70.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.233 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HA ' ' O ' ' A' ' 78' ' ' MET . 7.6 mp -61.55 -30.15 70.47 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.637 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.0 m -65.12 -49.42 70.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.782 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.32 -18.29 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -171.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.84 -12.21 2.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.054 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.609 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 77.5 mtp -69.34 113.08 6.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -107.71 164.75 11.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.162 0.506 . . . . 0.0 111.832 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.63 -21.99 54.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.99 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.52 -17.65 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.138 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.73 2.02 53.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.666 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.54 HG11 HG22 ' A' ' 41' ' ' VAL . 41.6 t -101.03 111.82 31.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -80.32 89.27 5.53 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.514 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.502 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . . . -56.54 -21.76 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.457 171.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.02 -25.85 23.36 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.196 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 65.92 89.3 0.1 Allowed 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.554 0.742 . . . . 0.0 110.726 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 75.8 mmm -98.45 -175.98 3.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.009 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -115.55 17.36 16.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.347 173.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.12 -160.95 28.13 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.478 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.93 133.94 7.42 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.992 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -66.72 150.57 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.41 152.72 43.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.264 -175.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.26 -21.8 66.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.722 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.445 ' HB3' ' SD ' ' A' ' 98' ' ' MET . 11.3 m-30 -79.58 38.77 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.815 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.54 -53.93 22.94 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.587 -0.563 . . . . 0.0 113.975 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.24 -54.96 4.33 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.786 2.324 . . . . 0.0 113.589 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.445 ' SD ' ' HB3' ' A' ' 95' ' ' PHE . 4.8 ppp? -69.7 -29.46 66.87 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.813 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.556 ' OH ' ' HB3' ' A' ' 23' ' ' TYR . 67.3 t80 -67.62 -44.23 78.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.129 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -63.95 -44.61 92.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.72 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.74 -45.72 81.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.89 -44.98 91.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 0.0 110.104 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.605 178.702 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 121.438 0.637 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -94.8 161.62 14.1 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.107 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -117.03 150.38 38.72 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.4 m -60.41 128.98 88.75 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.24 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HB2' HG23 ' A' ' 76' ' ' VAL . 73.7 Cg_endo -71.7 12.3 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 123.371 2.714 . . . . 0.0 113.096 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.419 HG21 ' HD3' ' A' ' 72' ' ' LYS . 2.4 p -131.93 -69.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.583 176.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.47 ' HG ' ' HB2' ' A' ' 18' ' ' ASP . 29.9 p -77.91 -18.41 56.15 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -176.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.26 9.74 86.22 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.826 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.47 ' HB2' ' HG ' ' A' ' 16' ' ' CYS . 10.4 m-20 -78.31 158.74 28.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.676 0.274 . . . . 0.0 111.033 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -63.24 134.08 55.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.925 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.96 143.0 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.24 0.543 . . . . 0.0 111.551 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 t -105.34 25.63 10.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.86 175.51 19.92 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.305 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.444 ' CD2' ' HD3' ' A' ' 103' ' ' ARG . 80.1 t80 -80.26 117.12 20.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.471 ' HA ' ' OH ' ' A' ' 99' ' ' TYR . 93.8 m-70 -143.68 135.89 26.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.95 -176.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 24' ' ' HIS . 3.4 m-85 75.31 -35.12 0.27 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.457 0.703 . . . . 0.0 112.681 172.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.02 -26.2 0.17 Allowed Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 111.805 -0.518 . . . . 0.0 111.805 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -127.4 -175.26 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 mp -93.47 119.45 32.56 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 171.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.475 ' HB ' ' HB2' ' A' ' 33' ' ' CYS . 20.1 p -137.55 158.23 44.82 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -173.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.4 p -83.82 178.44 7.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.986 0.422 . . . . 0.0 111.229 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -63.61 -38.31 90.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.086 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -36.29 83.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.267 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.475 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 98.0 m -62.45 -53.31 56.68 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.658 0.266 . . . . 0.0 110.476 176.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.585 ' HZ1' ' HB3' ' A' ' 34' ' ' LYS . 8.0 ttpm? -59.67 -44.17 93.7 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.995 0.426 . . . . 0.0 110.803 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.471 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -63.87 -55.83 22.3 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.53 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -62.79 -37.57 87.19 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.497 0.189 . . . . 0.0 111.222 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.545 ' O ' HG22 ' A' ' 41' ' ' VAL . 32.3 t80 -58.41 -53.3 59.85 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.695 ' HG2' HG12 ' A' ' 83' ' ' VAL . 26.1 mtmm -64.79 -41.58 95.73 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.531 -0.467 . . . . 0.0 111.411 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 36.2 mmt180 -49.48 -44.66 46.14 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.928 0.394 . . . . 0.0 111.418 177.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.1 m -71.04 -48.15 54.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.24 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.621 ' HB ' HG11 ' A' ' 83' ' ' VAL . 20.8 t -70.38 -41.89 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.755 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -58.47 -40.82 83.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.173 0.511 . . . . 0.0 110.729 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.471 ' N ' HD21 ' A' ' 43' ' ' ASN . 0.9 OUTLIER -90.28 -0.65 57.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.728 -177.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 p30 44.2 43.28 5.69 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.729 0.812 . . . . 0.0 111.293 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.529 ' HZ1' ' HB3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -99.27 162.14 13.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.051 -176.085 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -129.28 147.85 51.15 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.629 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 83.5 m-85 -107.48 156.23 19.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.084 0.468 . . . . 0.0 111.557 -173.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.0 m -105.11 129.08 53.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.839 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.408 ' C ' ' H ' ' A' ' 51' ' ' GLU . 44.5 t -98.0 -52.88 3.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.777 -177.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.9 m 72.56 -38.33 0.42 Allowed 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.59 0.556 . . . . 0.0 112.286 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 49' ' ' CYS . 5.8 mm-40 -61.85 -56.02 23.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.734 0.302 . . . . 0.0 111.617 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 28.3 t -168.25 -26.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.833 -175.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 52' ' ' SER . 89.3 mt-30 76.22 -42.4 0.44 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.344 0.658 . . . . 0.0 110.687 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -85.35 31.64 0.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.299 177.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.9 m -68.41 158.8 32.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.123 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -91.77 109.34 20.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.155 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.526 HD13 ' HB2' ' A' ' 68' ' ' CYS . 43.2 mm -84.59 112.64 22.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.624 176.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.457 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 2.2 p-10 -127.5 -168.04 1.83 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.284 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.57 -29.21 70.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.535 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 57.4 p -90.29 -50.84 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.405 ' HG2' ' NH1' ' A' ' 64' ' ' ARG . 65.5 mt-30 -83.25 5.95 21.25 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.482 ' HA ' HG23 ' A' ' 57' ' ' ILE . 14.7 ptt180 -53.13 -36.91 61.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.081 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.722 ' HA ' HH21 ' A' ' 69' ' ' ARG . 0.1 OUTLIER -95.55 -6.37 40.57 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -175.4 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.405 ' NH1' ' HG2' ' A' ' 61' ' ' GLN . 97.1 mtt180 -81.66 -38.77 25.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.447 -174.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 81.7 m -119.26 95.44 49.3 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.794 0.33 . . . . 0.0 111.293 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 26.7 Cg_endo -64.6 -37.72 35.82 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.472 2.114 . . . . 0.0 111.235 175.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.629 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 87.6 t80 -61.01 -53.64 54.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.523 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.526 ' HB2' HD13 ' A' ' 57' ' ' ILE . 34.1 m -64.15 -33.73 76.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.921 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.722 HH21 ' HA ' ' A' ' 63' ' ' LYS . 28.6 ttm180 -63.56 -52.18 62.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.135 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.43 -44.36 97.26 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.935 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.89 -39.08 87.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.916 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.914 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 55.7 tttt -72.44 -27.91 62.62 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 121.111 -0.235 . . . . 0.0 111.494 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 74.7 m -59.98 -46.99 87.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.703 HD22 HD11 ' A' ' 80' ' ' LEU . 28.6 mt -70.24 -39.53 74.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.09 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.914 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 3.1 m -50.52 -51.96 42.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.911 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.431 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -70.73 -17.99 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.734 -176.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.43 25.56 6.28 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 119.872 -1.156 . . . . 0.0 113.548 174.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.0 mmm -75.01 118.43 17.96 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -59.92 118.97 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.703 HD11 HD22 ' A' ' 74' ' ' LEU . 17.5 tp -69.06 -33.42 73.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.477 0.656 . . . . 0.0 109.891 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.34 -5.29 10.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.743 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.533 ' HA ' HD21 ' A' ' 93' ' ' ASN . . . -79.68 3.3 19.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.14 0.495 . . . . 0.0 110.713 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.695 HG12 ' HG2' ' A' ' 38' ' ' LYS . 58.7 t -102.21 98.76 7.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.447 175.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.499 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -80.01 71.59 6.73 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.509 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.32 -4.16 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.402 -171.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -89.58 15.57 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.47 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 65.28 70.36 0.46 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.404 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.475 ' HB3' ' HG2' ' A' ' 84' ' ' ARG . 13.7 tpt -147.71 121.47 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.444 174.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -92.27 60.91 3.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.366 0.603 . . . . 0.0 111.718 -173.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.06 127.13 7.93 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.051 177.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -66.1 -26.8 72.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.41 -0.424 . . . . 0.0 113.252 -176.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -130.66 118.7 21.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.313 0.578 . . . . 0.0 111.28 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.533 HD21 ' HA ' ' A' ' 82' ' ' ALA . 54.7 m-20 -80.57 -162.34 0.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.649 173.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.45 ' HE2' ' HA ' ' A' ' 94' ' ' LYS . 10.3 mmpt? -67.68 -24.6 65.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.357 . . . . 0.0 111.418 -172.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -89.46 16.6 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.1 0.476 . . . . 0.0 110.434 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.54 -50.74 47.11 Favored Glycine 0 CA--C 1.526 0.739 0 CA-C-N 115.712 -0.677 . . . . 0.0 114.155 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.493 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 73.8 Cg_exo -52.43 -56.36 2.95 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.545 2.163 . . . . 0.0 113.19 177.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.8 ptm -64.61 -33.33 75.67 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.818 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.471 ' OH ' ' HA ' ' A' ' 24' ' ' HIS . 60.9 t80 -60.23 -47.07 87.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.255 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -66.9 -38.58 86.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.924 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 97' ' ' PRO . 22.0 mtm180 -61.02 -51.79 67.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.776 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.82 -43.23 98.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.649 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.444 ' HD3' ' CD2' ' A' ' 23' ' ' TYR . 28.9 tpt180 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.623 ' HG3' ' HG ' ' A' ' 28' ' ' LEU . 61.5 mm-40 -141.13 162.54 35.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.324 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.8 mt -132.4 148.99 52.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.148 172.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.6 t -68.37 117.05 46.0 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.12 -8.01 21.54 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.904 2.403 . . . . 0.0 112.625 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -87.25 -55.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.209 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.49 -16.21 11.94 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -170.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.16 23.47 48.37 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.597 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -102.95 -172.17 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.54 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 73.5 mmtt -72.52 172.42 10.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.493 HG13 ' HB3' ' A' ' 28' ' ' LEU . 16.4 m -112.91 160.28 12.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.028 0.442 . . . . 0.0 111.1 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 t -109.62 10.56 24.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.425 0.631 . . . . 0.0 109.532 179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.61 -171.93 14.0 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.803 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -80.77 105.7 12.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.976 0.417 . . . . 0.0 109.966 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.509 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 94.5 m-70 -134.73 130.93 36.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.613 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 65.93 15.72 10.18 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.967 173.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.8 -11.55 27.5 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.466 176.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.23 175.05 9.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.072 0.436 . . . . 0.0 111.086 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.623 ' HG ' ' HG3' ' A' ' 11' ' ' GLU . 3.2 mm? -81.58 102.81 10.87 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 172.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.509 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 17.2 p -126.34 152.63 45.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.275 -174.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 1.6 p -96.42 159.66 14.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.161 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.679 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 12.6 tp10 -73.27 -6.84 48.64 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -177.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.3 p -74.87 -45.4 43.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.185 0.517 . . . . 0.0 109.693 173.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.2 m -77.58 -40.6 41.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.909 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.709 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 49.4 tttm -63.22 -33.01 74.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.676 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.56 ' HA2' ' NZ ' ' A' ' 38' ' ' LYS . . . -63.15 -53.33 40.81 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -59.07 -47.04 86.68 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.657 0.269 . . . . 0.0 110.473 176.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.469 ' O ' HG21 ' A' ' 41' ' ' VAL . 42.8 t80 -53.96 -52.43 60.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.087 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.709 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 32.3 mtmm -62.36 -50.63 70.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.77 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 39' ' ' ARG . 9.1 mmt180 -58.9 -30.39 67.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 111.398 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.923 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 73.5 m -70.63 -54.53 11.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.987 177.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.761 HG22 HG22 ' A' ' 83' ' ' VAL . 12.0 m -65.07 -39.75 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 38' ' ' LYS . 59.1 mt-30 -55.64 -42.21 74.65 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.616 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.566 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 48.3 m-80 -97.98 -0.23 45.15 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.886 -176.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.78 33.08 15.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.181 0.515 . . . . 0.0 109.864 -178.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.923 ' HE2' ' HA ' ' A' ' 40' ' ' THR . 44.2 mtmt -66.38 126.48 28.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.869 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -135.18 120.36 18.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -114.2 177.97 4.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 p -138.58 151.57 47.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.883 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 49.7 t -108.85 -27.79 9.54 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.027 -177.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.726 HG23 ' HG3' ' A' ' 51' ' ' GLU . 54.2 m 70.45 146.23 0.06 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.142 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.726 ' HG3' HG23 ' A' ' 50' ' ' THR . 38.6 mt-10 76.48 -91.68 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.837 0.855 . . . . 0.0 111.618 175.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' ' 54' ' ' SER . 33.6 t -90.16 -55.52 3.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.54 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 27.3 mt-30 70.72 -17.38 0.29 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.615 0.766 . . . . 0.0 112.222 177.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 52' ' ' SER . 21.5 t -93.64 70.58 4.19 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.1 m -96.13 149.07 22.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.154 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -80.2 153.39 28.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.11 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.481 HG13 ' HA ' ' A' ' 69' ' ' ARG . 49.1 mm -115.45 110.87 33.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.04 0.448 . . . . 0.0 110.727 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -129.55 -166.32 1.64 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.68 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -54.64 -38.86 67.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.113 0.482 . . . . 0.0 111.268 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.2 p -89.46 -49.51 6.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.091 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -78.56 -2.45 38.91 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.402 ' HA ' HG22 ' A' ' 57' ' ' ILE . 34.8 ptt180 -67.72 -30.93 70.55 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.405 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -95.98 -8.86 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.668 0.271 . . . . 0.0 111.34 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -85.06 -38.9 18.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.671 0.272 . . . . 0.0 111.662 -174.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.496 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 68.8 m -122.98 95.03 46.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.882 0.372 . . . . 0.0 111.524 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 26.6 Cg_endo -64.13 -45.73 9.46 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.502 2.135 . . . . 0.0 111.946 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.04 -48.97 79.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.757 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 34.8 m -63.17 -35.59 80.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.646 -178.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.481 ' HA ' HG13 ' A' ' 57' ' ' ILE . 74.8 ttt180 -70.89 -40.88 71.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.869 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -61.48 -49.07 78.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.156 0.503 . . . . 0.0 109.979 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.65 -33.37 75.78 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.528 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -59.8 -46.02 90.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.342 . . . . 0.0 110.371 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.497 ' O ' HG22 ' A' ' 76' ' ' VAL . 64.2 m -59.64 -44.37 93.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.241 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -71.21 -31.29 67.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.313 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.2 m -58.6 -49.49 77.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.802 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 73' ' ' CYS . 16.4 m -67.24 -18.62 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.329 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.16 21.95 7.1 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.174 -1.013 . . . . 0.0 113.071 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.43 ' SD ' ' HB3' ' A' ' 73' ' ' CYS . 85.7 mtp -65.96 109.8 2.67 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -58.25 109.92 0.85 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.783 -173.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 tp -71.41 -31.76 67.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.704 178.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.731 ' HG3' ' HZ ' ' A' ' 95' ' ' PHE . 10.6 pt-20 -78.13 -2.28 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.424 177.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.92 -38.73 19.03 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.851 0.358 . . . . 0.0 110.693 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.761 HG22 HG22 ' A' ' 41' ' ' VAL . 4.0 p -78.49 113.89 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 121.692 0.758 . . . . 0.0 110.676 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -104.05 103.29 13.09 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.186 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 42' ' ' GLN . . . -76.01 1.48 15.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.175 -170.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.63 -82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.047 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 11.1 tpt180 -172.96 31.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.506 0.67 . . . . 0.0 109.644 172.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 71.7 mmm -96.73 105.08 17.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.056 0.455 . . . . 0.0 110.589 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -80.75 59.86 3.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.462 -175.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.1 -128.09 5.91 Favored Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.993 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.58 62.55 1.14 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -81.17 86.14 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -136.93 -56.6 0.72 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.037 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -61.82 -34.13 75.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.107 0.479 . . . . 0.0 110.758 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.731 ' HZ ' ' HG3' ' A' ' 81' ' ' GLU . 72.2 m-85 -100.79 11.13 40.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.723 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.447 ' O ' ' HG2' ' A' ' 100' ' ' LYS . . . -50.62 -64.22 3.85 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 116.065 -0.516 . . . . 0.0 113.465 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.615 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 36.1 Cg_exo -58.23 -48.26 16.57 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.748 2.298 . . . . 0.0 113.387 -177.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -71.64 -34.31 69.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -69.6 -48.12 61.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 0.0 110.357 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.615 ' HE2' ' HA ' ' A' ' 97' ' ' PRO . 62.8 pttt -68.15 -33.94 75.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.501 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -64.71 -57.18 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.766 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -41.58 90.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.388 . . . . 0.0 110.916 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.033 -179.682 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 N--CA 1.461 0.117 0 CA-C-O 121.079 0.466 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.474 ' HG3' HD22 ' A' ' 28' ' ' LEU . 26.1 mm-40 -68.51 145.04 54.39 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.303 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.5 mt -111.36 147.14 35.81 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.751 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -71.85 114.56 29.8 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.884 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.78 7.46 1.97 Allowed 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.639 2.226 . . . . 0.0 113.042 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.5 t -95.7 -62.11 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.036 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.8 p -99.66 -16.11 18.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.006 -174.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.43 0.13 82.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.194 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.98 -177.26 6.34 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HB3' ' HE2' ' A' ' 19' ' ' LYS . 45.6 mtpt -82.08 156.17 24.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.702 0.287 . . . . 0.0 110.438 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.8 m -93.37 158.78 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.503 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 p -108.04 -7.48 16.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.331 0.586 . . . . 0.0 109.917 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.26 -172.18 29.35 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.98 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -80.61 112.67 18.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.926 0.393 . . . . 0.0 110.023 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.576 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 50.6 m-70 -130.49 140.53 50.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 69.37 -79.39 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.567 0.542 . . . . 0.0 111.277 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.21 21.06 0.56 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.537 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -175.68 -175.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 HD22 ' HG3' ' A' ' 11' ' ' GLU . 7.0 mp -81.63 118.99 23.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.326 0.584 . . . . 0.0 110.243 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.576 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 1.7 p -138.54 -171.38 3.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.872 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.5 p -131.01 156.14 45.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.32 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 3.6 mp0 -57.23 -23.41 47.79 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.978 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.9 t -61.18 -57.06 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.68 0.276 . . . . 0.0 110.366 177.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.0 m -71.7 -39.87 69.91 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.757 ' HG2' ' HZ1' ' A' ' 38' ' ' LYS . 74.9 tttt -47.15 -56.07 7.3 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.563 0.697 . . . . 0.0 111.154 173.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.13 -42.89 66.04 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.557 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -60.52 -44.13 96.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.781 0.324 . . . . 0.0 110.571 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.506 ' O ' HG21 ' A' ' 41' ' ' VAL . 13.2 t80 -58.18 -49.71 76.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.228 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.757 ' HZ1' ' HG2' ' A' ' 34' ' ' LYS . 26.2 mtmm -62.94 -44.67 95.42 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.445 177.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.6 mtm-85 -64.95 -18.0 64.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.64 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 51.0 m -85.61 -49.1 8.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.861 0.362 . . . . 0.0 110.622 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.732 HG22 HG12 ' A' ' 83' ' ' VAL . 14.5 m -70.51 -39.97 76.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -56.27 -40.44 74.24 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.642 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 89.8 m-20 -92.3 4.67 52.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.683 -175.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 60.99 33.72 19.63 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.236 0.541 . . . . 0.0 110.091 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.642 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 55.2 mtpt -73.38 120.55 19.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.318 -174.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -120.88 151.69 39.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.544 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.714 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 79.0 m-85 -139.77 170.61 15.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.235 0.54 . . . . 0.0 111.372 -175.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.9 m -144.95 95.13 2.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.709 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.692 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 39.0 t -73.5 -14.9 61.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.428 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.597 HG23 ' HG3' ' A' ' 51' ' ' GLU . 14.3 m 75.39 145.91 0.09 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.705 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.597 ' HG3' HG23 ' A' ' 50' ' ' THR . 41.1 mt-10 70.96 -85.4 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.904 174.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.7 p -93.62 -33.5 13.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.685 0.279 . . . . 0.0 110.831 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.692 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 53.2 mt-30 64.67 9.75 5.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.798 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -151.56 85.72 1.32 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.42 0.629 . . . . 0.0 110.289 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.6 m -87.62 176.42 7.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.751 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -71.14 101.85 2.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.691 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.497 HD12 ' HB2' ' A' ' 68' ' ' CYS . 37.9 mm -75.58 95.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -130.38 -171.87 2.66 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.31 -0.859 . . . . 0.0 108.995 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -56.52 -33.72 66.33 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 122.61 0.364 . . . . 0.0 111.721 -176.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.4 p -89.01 -25.78 21.81 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -115.24 -0.11 13.34 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -170.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -66.84 -31.07 71.45 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -176.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -95.82 -11.28 27.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.604 0.24 . . . . 0.0 111.275 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -84.65 -37.18 21.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.581 -174.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.516 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.4 m -113.99 93.39 29.62 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.788 0.327 . . . . 0.0 111.27 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.05 -44.23 7.73 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.604 2.202 . . . . 0.0 111.757 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.714 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 32.1 t80 -64.83 -46.46 81.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.953 0.406 . . . . 0.0 110.586 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.516 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 55.9 m -61.08 -36.0 78.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.749 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -74.93 -37.25 62.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.514 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -58.28 -53.91 52.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.161 0.505 . . . . 0.0 109.696 174.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.96 -34.3 71.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.365 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.5 ' O ' ' HB ' ' A' ' 75' ' ' THR . 0.0 OUTLIER -65.72 -37.5 86.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 178.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 84.8 m -60.06 -50.5 73.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.66 -38.64 85.53 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.93 175.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 53.7 m -51.99 -52.33 51.25 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.834 178.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.4 m -75.79 -28.92 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.092 -171.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.13 10.26 1.16 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 119.973 -1.108 . . . . 0.0 113.434 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 75.7 mtp -81.81 109.19 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -89.18 147.05 24.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.376 -169.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 mt -71.64 -37.29 70.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.727 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -77.28 2.74 14.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.985 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.34 4.26 41.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.314 0.578 . . . . 0.0 109.622 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.732 HG12 HG22 ' A' ' 41' ' ' VAL . 90.7 t -90.11 114.5 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.97 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.461 ' HD3' ' HA ' ' A' ' 88' ' ' MET . 32.6 ttm180 -84.63 86.36 7.32 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.937 170.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.18 -2.02 57.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.098 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.91 -71.26 0.48 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.43 141.6 0.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.943 175.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.461 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . 10.8 tpt -66.92 91.84 0.21 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.052 0.453 . . . . 0.0 109.926 174.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -146.17 -46.03 0.2 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.042 -175.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -92.6 -178.6 40.99 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.635 -175.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.91 157.25 43.21 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.445 -0.407 . . . . 0.0 112.819 -176.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -88.0 87.91 7.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.88 0.371 . . . . 0.0 110.342 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -86.46 -49.05 7.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.669 ' HZ3' ' HB3' ' A' ' 94' ' ' LYS . 7.6 mtpm? -57.51 -65.37 0.64 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.32 -174.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -97.66 51.69 1.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.321 0.582 . . . . 0.0 110.578 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.98 -73.39 1.19 Allowed Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.121 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -58.08 -56.26 1.74 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.489 2.792 . . . . 0.0 113.384 -177.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 23.6 ptm -57.84 -31.75 66.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.901 0.381 . . . . 0.0 110.887 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -72.83 -51.35 19.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.835 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -59.63 -40.94 89.26 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.559 -178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.7 -56.66 10.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.91 -42.73 90.35 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.013 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.637 179.895 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 CA--C 1.517 -0.311 0 CA-C-O 121.286 0.565 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.492 ' O ' HG21 ' A' ' 20' ' ' VAL . 31.2 mt-10 -105.32 149.9 25.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.306 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.485 HD21 ' O ' ' A' ' 17' ' ' GLY . 5.7 mp -111.5 159.89 17.66 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.427 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 75.2 m -62.99 131.37 94.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.812 -175.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -70.08 -4.6 14.58 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.959 2.439 . . . . 0.0 112.386 176.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 72' ' ' LYS . 2.0 p -104.04 -74.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.624 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.0 p -80.15 -53.54 6.59 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.538 -176.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.485 ' O ' HD21 ' A' ' 12' ' ' LEU . . . 126.19 -1.02 7.7 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.238 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.445 ' HB2' ' HG ' ' A' ' 30' ' ' CYS . 21.4 m-20 -75.02 155.1 37.66 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.323 0.561 . . . . 0.0 109.88 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -63.81 136.79 57.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.303 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 11' ' ' GLU . 27.0 m -72.94 148.0 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.881 -173.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.6 t -108.29 -0.27 20.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.096 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.34 -165.51 24.69 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.291 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -80.95 111.78 17.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.493 0.187 . . . . 0.0 110.575 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.734 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 38.1 m-70 -133.22 115.55 15.13 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.705 177.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.429 ' CE1' HG22 ' A' ' 83' ' ' VAL . 59.5 m-85 71.42 1.19 3.75 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.867 0.729 . . . . 0.0 112.733 168.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.15 -60.11 0.19 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.987 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.448 HD11 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -146.95 -165.22 2.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.776 0.322 . . . . 0.0 111.14 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HB3' HG12 ' A' ' 20' ' ' VAL . 31.5 mt -58.08 112.08 1.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.685 178.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.734 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 15.9 p -138.55 161.57 36.73 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.401 177.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 32.0 p -90.25 171.56 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -70.54 -18.81 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.127 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.475 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 19.9 t -69.5 -44.76 70.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.4 m -61.5 -51.56 68.15 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.214 0.53 . . . . 0.0 109.618 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 30.8 tttm -59.06 -46.24 88.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.673 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 39' ' ' ARG . . . -62.87 -48.73 78.53 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.346 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -64.19 -37.05 86.08 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.43 -45.04 94.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.263 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.548 ' O ' ' HB2' ' A' ' 42' ' ' GLN . 6.4 mtmp? -62.37 -45.16 94.4 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.226 176.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 96.1 mtt-85 -59.4 -34.03 71.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -178.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.7 m -78.63 -57.72 3.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.268 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.8 t -67.54 -46.69 82.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -173.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 39.6 mt-30 -67.38 -32.04 72.69 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -91.99 0.46 57.47 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.783 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 54.0 45.13 28.26 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.606 0.566 . . . . 0.0 110.73 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -77.59 155.93 31.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.71 -175.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -134.68 146.43 49.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.86 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -132.18 168.2 18.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.611 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.8 m -154.91 122.86 5.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.39 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.707 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 50.2 t -99.01 138.27 36.35 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.1 m -95.09 -13.61 24.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.125 0.488 . . . . 0.0 110.875 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.564 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 8.5 mm-40 -78.96 -81.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.58 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.463 ' C ' ' H ' ' A' ' 54' ' ' SER . 9.3 t -142.96 16.73 1.94 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 -176.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.707 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 46.5 mt-30 70.37 -33.78 0.27 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.345 0.658 . . . . 0.0 111.94 -178.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 52' ' ' SER . 25.2 m -129.85 89.0 2.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.385 0.612 . . . . 0.0 109.765 175.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 51' ' ' GLU . 50.0 m -89.3 -175.36 4.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.796 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -63.85 141.2 58.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.932 175.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.8 mm -105.96 122.32 59.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.092 0.472 . . . . 0.0 109.96 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.493 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 24.1 t70 -150.78 179.57 8.1 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -174.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.426 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 49.3 mtmt -58.25 -41.25 83.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.28 0.363 . . . . 0.0 111.096 -177.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.1 t -88.6 -36.5 16.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.112 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.493 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 30.7 mm-40 -64.29 -31.26 72.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.828 -175.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.483 ' HB2' ' HD2' ' A' ' 69' ' ' ARG . 37.4 ptt180 -68.63 -14.83 63.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.376 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -95.76 -41.66 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.061 0.458 . . . . 0.0 109.918 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.483 ' HD2' ' NE2' ' A' ' 61' ' ' GLN . 61.5 mtt180 -65.71 -42.73 90.77 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.078 -178.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.607 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.9 m -120.38 81.07 30.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.982 178.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.45 -26.79 47.34 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.382 2.055 . . . . 0.0 111.249 176.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -65.2 -50.41 66.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.068 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.607 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 34.7 m -60.79 -41.25 95.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.207 0.527 . . . . 0.0 110.246 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HD2' ' HB2' ' A' ' 62' ' ' ARG . 74.4 ttt180 -60.85 -52.67 64.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.66 177.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -60.06 -45.91 91.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.956 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -56.72 -43.53 80.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.192 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.699 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 34.4 ttmt -72.08 -27.45 62.67 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.999 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.5 m -56.9 -51.06 70.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.82 -31.61 72.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.699 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 35.5 m -58.88 -48.32 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.861 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.53 -23.76 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.573 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.67 7.29 2.14 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.073 -1.06 . . . . 0.0 113.901 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.506 ' SD ' HG22 ' A' ' 29' ' ' THR . 85.1 mtp -75.69 135.89 40.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.397 0.599 . . . . 0.0 110.147 177.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -118.05 149.32 41.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.291 -176.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.6 mt -75.57 -30.68 59.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.416 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -56.79 -25.61 55.96 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.951 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.54 -25.95 62.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.069 0.462 . . . . 0.0 110.717 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.429 HG22 ' CE1' ' A' ' 25' ' ' TYR . 46.0 t -78.84 106.56 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.373 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -86.27 82.23 8.09 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.29 -4.97 6.05 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -170.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.5 -89.87 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -163.12 27.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 17.0 mmt -89.43 114.7 26.2 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.324 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 89' ' ' ARG . 26.7 mtp180 -91.18 36.58 0.92 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.342 -170.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.87 104.87 0.24 Allowed Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.067 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -97.15 39.25 2.83 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.942 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 92' ' ' ARG . 37.9 mtp180 -86.0 178.15 7.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.6 -0.353 . . . . 0.0 110.746 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.4 t30 72.01 -52.56 0.7 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.017 0.927 . . . . 0.0 111.917 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -55.47 -48.98 73.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.931 0.396 . . . . 0.0 110.63 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.515 ' O ' ' HG2' ' A' ' 98' ' ' MET . 90.2 m-85 -117.72 13.77 14.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.319 0.581 . . . . 0.0 109.778 174.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.87 -47.85 58.44 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.287 -0.869 . . . . 0.0 114.097 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -51.62 -43.46 50.51 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.802 2.335 . . . . 0.0 113.482 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.515 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 28.5 ptm -73.86 -30.17 62.51 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.742 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -67.56 -47.8 68.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.964 0.411 . . . . 0.0 110.69 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.33 -31.44 67.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.001 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -67.5 -46.06 74.03 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.188 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.11 -38.73 92.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.204 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.5 tpp85 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.246 175.225 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.485 ' O ' HG23 ' A' ' 20' ' ' VAL . 42.4 mt-10 -142.69 149.43 38.83 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.075 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 12' ' ' LEU . 5.0 mp -121.0 155.87 33.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.901 -176.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.6 m -60.69 139.26 93.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.0 2.66 5.23 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.705 2.27 . . . . 0.0 112.568 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 72' ' ' LYS . 1.5 p -113.17 -76.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.468 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.7 p -78.38 -31.67 48.53 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.559 -175.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' HD22 ' A' ' 12' ' ' LEU . . . 89.02 38.08 6.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.914 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.611 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 59.8 m-20 -110.34 157.58 19.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 117.022 0.411 . . . . 0.0 110.65 176.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HE3' ' HB3' ' A' ' 19' ' ' LYS . 8.6 mmmt -51.69 120.04 4.82 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.756 0.66 . . . . 0.0 111.397 176.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 11' ' ' GLU . 3.8 m -62.61 135.85 26.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.869 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.5 t -98.95 -33.99 10.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.669 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.63 -170.56 38.22 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.769 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -77.32 108.78 10.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.732 0.301 . . . . 0.0 110.687 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.569 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 43.1 m-70 -132.77 122.3 24.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.739 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HE1' ' HB ' ' A' ' 83' ' ' VAL . 92.4 m-85 69.78 -8.61 0.77 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.859 0.864 . . . . 0.0 113.235 169.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.1 -43.18 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.022 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -160.12 -168.31 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.722 0.261 . . . . 0.0 110.549 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.47 108.58 0.65 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.733 0.645 . . . . 0.0 111.266 174.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 7.1 p -136.58 164.18 28.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.961 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 18' ' ' ASP . 21.2 p -93.21 176.68 6.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.267 178.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -72.41 -19.8 61.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.502 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 1.2 m -60.54 -47.75 84.79 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.093 174.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.3 m -64.8 -53.13 51.77 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.713 176.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.451 ' HG3' ' HE2' ' A' ' 25' ' ' TYR . 26.4 tttm -52.09 -48.73 64.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.113 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.77 -48.26 62.55 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.911 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -64.09 -40.36 96.06 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.018 0.437 . . . . 0.0 110.645 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.611 ' O ' HG23 ' A' ' 41' ' ' VAL . 23.9 t80 -57.94 -50.25 74.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.005 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -61.25 -44.17 97.68 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.729 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 75.1 mtp180 -58.95 -33.03 70.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 110.659 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.6 m -73.78 -60.72 2.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.972 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.783 HG21 HG23 ' A' ' 83' ' ' VAL . 15.7 m -63.71 -48.69 85.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -173.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.778 ' HG2' ' HA ' ' A' ' 85' ' ' ALA . 68.3 mt-30 -73.04 -33.71 65.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.408 . . . . 0.0 112.019 -172.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -84.19 2.48 39.54 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.007 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 58.26 42.58 21.56 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.536 0.684 . . . . 0.0 110.324 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -93.96 145.54 24.56 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.151 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -137.26 130.11 30.39 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -105.48 176.59 5.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.861 0.362 . . . . 0.0 110.623 -175.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -137.25 -177.6 4.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.016 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 53' ' ' GLN . 52.7 t -122.87 156.63 34.23 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.151 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.7 t -109.58 3.65 21.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.229 0.538 . . . . 0.0 110.249 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.674 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 37.5 mt-10 -128.61 -145.45 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.026 -177.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 6.5 m -84.39 19.52 1.89 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -177.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 55.8 mt-30 74.09 -51.35 0.69 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.489 0.715 . . . . 0.0 112.143 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 p -88.06 70.19 9.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.743 0.782 . . . . 0.0 110.104 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.674 ' SG ' ' HB2' ' A' ' 51' ' ' GLU . 53.5 m -84.13 -176.65 6.36 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.719 -177.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 73.0 mmtt -91.78 116.22 28.71 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.972 174.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.59 103.23 9.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.429 0.633 . . . . 0.0 109.859 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.539 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -119.23 176.71 5.19 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.223 -179.223 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -62.98 -37.4 86.99 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.993 0.425 . . . . 0.0 110.814 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.4 t -88.94 -35.08 16.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.539 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 82.7 mm-40 -70.94 -24.3 62.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.693 0.282 . . . . 0.0 111.56 -175.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -70.25 -15.67 62.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -176.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -96.01 -11.43 26.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.831 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HD2' ' OE1' ' A' ' 61' ' ' GLN . 73.0 mtt180 -91.46 -43.29 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.278 0.561 . . . . 0.0 110.013 -177.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.678 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 65.5 m -116.15 84.05 13.39 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.205 175.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.99 -33.72 50.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.662 2.241 . . . . 0.0 111.611 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -64.38 -46.54 82.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.517 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.678 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 32.9 m -61.18 -38.85 87.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.188 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -62.3 -51.99 65.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.133 176.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 73' ' ' CYS . 84.3 t80 -59.72 -49.91 75.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.053 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.406 ' C ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER -63.43 -31.33 72.46 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.897 -176.171 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.522 ' O ' ' HB ' ' A' ' 75' ' ' THR . 39.2 ttmt -74.3 -27.97 60.96 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.577 175.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 83.3 m -57.94 -43.61 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 78' ' ' MET . 6.9 mp -66.84 -36.53 82.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.439 . . . . 0.0 110.272 174.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.522 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 28.3 m -55.42 -48.32 74.58 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.758 176.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.74 -17.98 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.71 -1.54 3.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 119.972 -1.109 . . . . 0.0 114.161 173.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.486 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 86.2 mtp -75.31 120.86 21.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.547 0.674 . . . . 0.0 110.389 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -109.54 158.0 18.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.117 0.484 . . . . 0.0 111.896 -175.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -76.34 -21.1 56.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.324 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -70.62 -21.94 62.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.881 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.95 0.46 44.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.233 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.783 HG23 HG21 ' A' ' 41' ' ' VAL . 6.1 p -129.67 139.17 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.042 0.449 . . . . 0.0 110.284 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -122.79 135.32 54.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.572 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.778 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . . . -85.6 -22.73 27.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.301 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 61.5 m-20 -66.04 -88.04 0.01 OUTLIER 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.903 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 1.6 tpp180 175.86 99.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.984 174.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -150.34 107.87 3.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -108.78 26.47 10.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.765 -174.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.64 -23.85 77.19 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.467 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.04 -73.71 2.11 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.559 175.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -67.22 108.87 2.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.338 0.589 . . . . 0.0 111.061 -175.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.406 ' CG ' ' H ' ' A' ' 94' ' ' LYS . 9.2 t-20 -137.19 -141.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.485 -177.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.406 ' H ' ' CG ' ' A' ' 93' ' ' ASN . 85.6 tttt -48.53 -44.23 36.13 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -175.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.455 ' O ' ' HG2' ' A' ' 98' ' ' MET . 67.4 m-85 -91.8 5.49 49.68 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.607 -174.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.95 -51.78 38.42 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.222 -0.513 . . . . 0.0 113.23 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.52 -43.4 55.08 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.979 2.453 . . . . 0.0 113.643 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 25.1 ptm -71.86 -31.44 66.48 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.972 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -64.32 -53.3 50.96 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.808 0.337 . . . . 0.0 110.257 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -67.11 -32.46 73.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.46 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 101' ' ' ARG . 15.0 ttm180 -67.73 -53.82 24.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.325 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.05 -35.38 76.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.842 0.353 . . . . 0.0 110.188 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.631 178.425 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.318 0.58 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.57 133.48 48.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.964 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -131.19 154.51 48.32 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.323 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.42 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 35.5 t -68.21 115.93 34.11 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.712 175.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.6 -6.02 15.63 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.7 2.267 . . . . 0.0 112.533 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.461 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 84.6 t -80.07 -66.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.635 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 p -110.11 -22.39 11.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -170.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.74 11.94 42.23 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.889 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -77.67 167.08 22.16 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.757 0.278 . . . . 0.0 110.444 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -70.9 140.89 51.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.088 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 28' ' ' LEU . 27.0 m -68.68 147.19 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.323 0.582 . . . . 0.0 111.776 -177.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -113.3 15.65 19.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.458 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.11 -174.85 21.71 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.353 -0.839 . . . . 0.0 112.243 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -80.37 121.31 25.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -142.27 -64.89 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.982 0.42 . . . . 0.0 110.915 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.648 ' CE1' ' HG3' ' A' ' 34' ' ' LYS . 38.3 m-85 -100.29 71.61 1.58 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.134 0.492 . . . . 0.0 110.85 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.4 -26.43 6.36 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.534 -0.757 . . . . 0.0 113.525 174.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.415 HD23 HG21 ' A' ' 76' ' ' VAL . 1.9 pt? -164.99 -161.69 0.57 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.976 0.388 . . . . 0.0 110.508 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' HB3' ' CG1' ' A' ' 20' ' ' VAL . 3.2 mm? -59.71 107.41 0.6 Allowed 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.73 174.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.554 HG23 ' HB2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -132.17 150.96 52.03 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.181 -175.148 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.6 p -104.58 155.18 19.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.85 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.56 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 16.7 tp10 -63.59 -22.39 66.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.202 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.1 p -68.89 -45.02 72.02 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.161 -0.337 . . . . 0.0 110.749 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.0 m -74.57 -35.5 63.05 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.195 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.648 ' HG3' ' CE1' ' A' ' 25' ' ' TYR . 60.4 tttt -57.3 -49.27 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.079 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.522 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -60.88 -48.57 85.61 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.161 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.16 -42.24 90.29 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 111.035 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -62.15 -48.31 80.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.702 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 34' ' ' LYS . 17.9 mtpt -54.5 -48.9 71.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.963 175.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 18.7 mmm180 -56.16 -47.53 78.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.294 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.7 m -73.81 -55.51 6.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.944 -174.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.04 -42.81 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -171.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.487 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 13.1 mm-40 -67.59 -35.73 79.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.977 0.418 . . . . 0.0 111.718 -175.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -88.65 11.13 18.29 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.098 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 p30 45.26 43.03 7.75 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 124.27 0.981 . . . . 0.0 110.182 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -87.61 158.61 18.83 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.192 -1.367 . . . . 0.0 111.771 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -145.14 118.04 8.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.308 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -90.56 173.15 8.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.965 0.412 . . . . 0.0 111.155 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.8 m -132.12 122.21 25.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.396 -178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.0 t -97.25 114.95 26.75 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 p -76.62 -8.85 58.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -88.4 -150.84 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.076 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.3 p -83.55 5.02 25.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.88 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 71.51 -48.27 0.67 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.549 0.74 . . . . 0.0 111.978 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -81.59 61.53 5.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.341 0.591 . . . . 0.0 110.138 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.7 m -89.69 167.29 13.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.977 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -89.61 127.42 35.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.045 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.1 mm -87.26 90.97 3.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.477 0.656 . . . . 0.0 109.775 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.526 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 15.5 t70 -102.2 178.95 4.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.352 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -58.78 -39.29 80.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.0 0.429 . . . . 0.0 110.644 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -89.65 -43.59 10.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.899 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.526 ' HG3' ' HB3' ' A' ' 58' ' ' ASP . 33.9 mt-30 -69.88 -15.97 63.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.241 -170.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -69.97 -10.18 57.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -95.25 -41.17 9.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 111.247 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -70.41 -31.55 68.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.299 -174.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.688 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 91.6 m -118.06 83.55 19.67 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.421 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.98 -38.0 13.92 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.25 1.967 . . . . 0.0 111.594 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -61.05 -39.4 89.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.242 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.688 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 49.3 m -70.33 -35.88 73.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.469 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -65.01 -38.85 92.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -58.62 -49.46 77.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.962 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.793 ' HA ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER -58.89 -42.42 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.523 177.047 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' HG3' ' HA ' ' A' ' 15' ' ' VAL . 19.7 tptm -59.25 -38.68 80.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.92 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.02 -56.15 24.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.283 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.507 ' HA ' ' O ' ' A' ' 78' ' ' MET . 8.8 mp -61.22 -24.37 66.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.55 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.8 m -66.3 -51.83 53.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.816 0.341 . . . . 0.0 111.352 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.415 HG21 HD23 ' A' ' 27' ' ' LEU . 26.0 m -72.14 -22.8 21.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.834 -172.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.42 0.46 2.37 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.125 -1.035 . . . . 0.0 113.23 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.507 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 74.8 mtp -74.59 111.53 9.88 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -96.88 163.03 13.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.8 mt -75.95 -36.6 59.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.93 -174.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -68.86 -7.1 31.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.716 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' HA ' ' CE1' ' A' ' 95' ' ' PHE . . . -71.35 -19.24 62.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.112 0.482 . . . . 0.0 110.43 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -96.64 146.18 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.463 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 4.3 mmp_? -92.32 99.86 12.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.158 -0.339 . . . . 0.0 110.794 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.81 -11.67 29.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.23 0.538 . . . . 0.0 110.805 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.74 -9.28 56.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.854 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 68.3 16.89 9.3 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.765 0.793 . . . . 0.0 109.0 -175.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.9 tpt -94.08 118.23 31.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.881 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -67.63 -19.04 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.394 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.32 61.2 4.21 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.195 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.63 32.32 6.13 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.217 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 24.2 ttt85 -96.51 98.18 10.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.74 -0.23 . . . . 0.0 111.083 -176.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 92' ' ' ARG . 67.3 t30 176.94 -60.3 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.749 0.309 . . . . 0.0 111.552 174.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -52.3 -49.7 63.65 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.432 ' O ' ' HG3' ' A' ' 98' ' ' MET . 34.9 m-85 -95.37 11.55 32.32 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -173.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.92 -64.88 3.89 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.016 -0.611 . . . . 0.0 113.393 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.84 -39.28 83.0 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.929 2.42 . . . . 0.0 113.265 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 3.9 ppp? -64.33 -27.87 69.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.478 -176.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -51.94 -55.38 20.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.82 0.819 . . . . 0.0 110.497 173.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -67.4 -34.33 77.03 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.566 -178.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -63.16 -50.15 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.156 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.57 -42.57 92.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.816 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.378 176.858 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.527 0.68 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -102.53 150.64 23.19 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.16 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -100.01 141.17 33.19 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.988 0.423 . . . . 0.0 110.843 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.36 122.85 52.28 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.18 -10.91 30.27 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.21 2.606 . . . . 0.0 112.671 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.422 ' HB ' ' HG ' ' A' ' 33' ' ' CYS . 60.9 t -80.3 -33.36 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.254 177.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 p -139.16 -85.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.553 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.87 46.0 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.968 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -116.6 150.84 37.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -55.85 126.81 27.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.146 0.498 . . . . 0.0 109.916 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.619 HG13 ' HB3' ' A' ' 28' ' ' LEU . 35.3 m -64.35 147.98 12.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.281 -173.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.6 m -98.09 20.51 12.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.437 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.87 178.54 15.99 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.494 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -92.64 107.78 19.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.028 0.442 . . . . 0.0 110.182 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 5.8 p80 -154.56 149.62 26.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.476 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 34' ' ' LYS . 63.9 m-85 70.11 15.28 7.66 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.795 0.684 . . . . 0.0 110.174 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.68 17.67 63.31 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.5 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.8 mt -155.18 162.05 41.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.239 0.542 . . . . 0.0 112.114 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.619 ' HB3' HG13 ' A' ' 20' ' ' VAL . 3.3 mm? -80.37 102.29 9.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 168.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.2 p -129.08 148.81 51.06 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 120.948 0.404 . . . . 0.0 111.129 -173.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.6 p -87.78 161.5 17.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.559 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -58.71 -32.32 69.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.856 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 m -57.03 -48.48 78.42 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.422 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 91.5 m -72.11 -38.73 69.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HG3' ' CE1' ' A' ' 25' ' ' TYR . 27.7 ttpt -59.6 -43.44 93.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 0.0 110.284 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.33 -50.82 62.78 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.418 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -65.42 -40.28 93.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.574 0.226 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 41' ' ' VAL . 22.2 t80 -58.38 -46.49 86.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.88 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -56.24 -58.15 9.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.564 176.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -56.86 -29.9 63.33 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 m -82.17 -55.99 4.2 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.488 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.422 ' CG1' HG12 ' A' ' 83' ' ' VAL . 35.9 t -68.54 -37.6 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.485 -173.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.731 ' HG2' ' HA ' ' A' ' 85' ' ' ALA . 98.1 mt-30 -62.11 -21.63 65.15 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.631 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 50.3 m-80 -113.06 1.81 15.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.919 0.39 . . . . 0.0 110.145 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.455 ' N ' HD21 ' A' ' 44' ' ' ASN . 0.9 OUTLIER 60.05 35.25 21.38 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.89 179.31 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.631 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 87.2 mttt -73.67 120.84 19.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.276 -173.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -109.49 97.36 6.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.416 172.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.574 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 60.9 m-85 -72.62 174.28 7.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.473 -178.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.3 m -135.62 129.78 33.38 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.529 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.862 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 48.5 t -97.99 165.13 12.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.7 p -70.17 -64.31 0.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 0.0 112.235 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -86.33 -138.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.494 -174.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.3 m -66.59 0.05 2.52 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.91 0.484 . . . . 0.0 111.603 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.862 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 40.1 mt-30 68.7 8.57 6.82 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.012 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -108.52 78.59 1.17 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 40.1 m -103.5 174.01 6.05 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.751 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -84.08 142.01 30.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.793 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.5 mm -106.37 98.02 6.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.136 0.493 . . . . 0.0 110.539 -177.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -128.06 178.96 5.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.848 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 26.7 ttpp -53.71 -34.76 59.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.556 0.535 . . . . 0.0 112.425 -174.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 p -89.03 -50.1 6.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.108 0.411 . . . . 0.0 112.108 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.543 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 22.6 mt-30 -72.77 -16.2 61.64 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -171.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.537 ' O ' ' HD2' ' A' ' 69' ' ' ARG . 37.9 ptt180 -71.42 -5.47 33.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 111.075 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -95.44 -45.8 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.098 0.475 . . . . 0.0 110.344 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.543 ' HG2' ' HA ' ' A' ' 61' ' ' GLN . 9.1 ptm180 -75.63 -27.37 58.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.418 -176.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.499 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 93.1 m -114.86 81.12 7.13 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.296 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.49 -33.44 22.71 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.225 1.95 . . . . 0.0 111.443 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.574 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 80.2 t80 -64.19 -51.27 64.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.335 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 32.6 m -60.61 -40.89 93.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.236 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.537 ' HD2' ' O ' ' A' ' 62' ' ' ARG . 59.2 ttt180 -60.77 -46.87 88.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.791 178.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.24 -50.79 71.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.572 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -59.57 -39.57 84.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -54.87 -46.42 74.74 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.296 0.238 . . . . 0.0 110.99 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.406 ' SG ' HG13 ' A' ' 15' ' ' VAL . 63.2 m -55.22 -50.09 70.31 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.57 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.485 HD21 HD23 ' A' ' 80' ' ' LEU . 8.4 mp -67.78 -32.42 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.379 . . . . 0.0 112.008 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.3 m -63.31 -44.09 95.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 0.0 111.303 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.2 m -74.94 -22.83 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.065 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.43 33.04 1.15 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.367 -0.92 . . . . 0.0 114.142 171.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.4 mtp -78.25 118.06 20.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.444 0.622 . . . . 0.0 109.617 174.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -73.37 120.01 18.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.252 -174.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.485 HD23 HD21 ' A' ' 74' ' ' LEU . 68.3 mt -59.65 -38.95 82.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.813 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HG3' ' HZ ' ' A' ' 95' ' ' PHE . 10.3 pt-20 -76.33 6.87 4.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.927 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.05 2.72 46.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.048 0.451 . . . . 0.0 110.513 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.422 HG12 ' CG1' ' A' ' 41' ' ' VAL . 3.5 p -99.11 147.59 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.548 178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' HA ' ' HD2' ' A' ' 84' ' ' ARG . 5.2 tpt180 -113.68 111.25 21.5 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.721 -0.391 . . . . 0.0 109.972 176.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.731 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . . . -85.73 -18.71 32.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.345 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 5.1 m-20 -57.27 -78.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.055 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.456 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 15.8 tpp85 169.49 -31.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.672 -176.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 92.6 mmm -52.88 126.12 19.24 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.382 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -96.64 3.79 52.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.899 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -127.85 127.69 5.84 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.276 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.45 45.72 0.19 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.21 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -88.74 86.73 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.999 0.428 . . . . 0.0 110.526 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -157.89 -52.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.691 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -56.51 -46.59 80.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.987 0.423 . . . . 0.0 111.733 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.469 ' HZ ' ' HG3' ' A' ' 81' ' ' GLU . 94.0 m-85 -91.66 8.48 36.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.666 -178.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.534 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -53.61 -53.87 33.41 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-O 119.525 -0.597 . . . . 0.0 113.633 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 10.0 Cg_endo -52.42 -46.73 31.11 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.068 2.512 . . . . 0.0 113.203 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.453 ' SD ' ' HD2' ' A' ' 95' ' ' PHE . 26.9 ptm -71.6 -35.2 70.42 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.547 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 7.8 m-85 -63.32 -54.38 38.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.026 0.441 . . . . 0.0 110.644 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -58.58 -52.23 66.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.763 -177.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -62.14 -51.07 69.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.532 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.05 -45.89 91.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.618 0.247 . . . . 0.0 111.123 -175.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 99' ' ' TYR . 60.6 mtm180 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.958 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.654 0.264 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.515 ' CD ' ' HZ3' ' A' ' 106' ' ' LYS . 44.8 mt-10 -106.02 148.21 27.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.257 0.551 . . . . 0.0 110.72 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.8 mt -111.74 153.07 27.04 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.116 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.404 ' HB2' ' H ' ' A' ' 17' ' ' GLY . 38.2 m -66.03 137.25 95.79 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.344 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -67.27 -13.19 38.63 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.535 2.157 . . . . 0.0 112.439 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.571 HG21 ' N ' ' A' ' 16' ' ' CYS . 0.2 OUTLIER -104.03 -81.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.627 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.571 ' N ' HG21 ' A' ' 15' ' ' VAL . 30.6 p -69.65 -31.82 70.12 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' H ' ' HB2' ' A' ' 13' ' ' CYS . . . 93.45 14.44 53.53 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.314 177.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.57 ' HB2' ' HG ' ' A' ' 30' ' ' CYS . 67.5 m-20 -83.76 164.55 19.51 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 117.205 0.502 . . . . 0.0 111.106 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 13.1 mptt -65.22 127.9 33.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.979 176.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.405 HG11 ' HB3' ' A' ' 28' ' ' LEU . 21.3 m -76.35 136.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.249 0.547 . . . . 0.0 111.883 -174.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 p -90.61 -12.45 36.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.044 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.13 -165.04 28.61 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.438 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.601 ' HB3' ' HD1' ' A' ' 99' ' ' TYR . 20.1 m-85 -72.38 112.6 8.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.007 0.432 . . . . 0.0 111.188 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.649 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 49.6 m-70 -134.25 125.99 28.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.485 ' HD1' ' HB2' ' A' ' 82' ' ' ALA . 83.6 m-85 64.33 21.36 12.48 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.599 0.562 . . . . 0.0 111.928 173.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.43 0.22 53.52 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.165 -0.541 . . . . 0.0 113.119 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -139.25 158.7 43.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -176.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.405 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.4 mm? -70.61 106.24 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 167.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.649 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 19.0 p -139.1 164.92 28.51 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.704 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.607 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 26.7 p -95.52 177.19 5.9 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.583 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.539 ' HG3' ' H5 ' ' C' ' 22' ' ' ' DC' . 44.1 mm-40 -70.01 -20.78 63.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.541 176.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.693 ' HB2' " H3'" ' C' ' 20' ' ' ' DG' . 22.7 t -66.08 -45.54 80.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.2 m -63.78 -52.67 59.22 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HE2' ' N7 ' ' B' ' 8' ' ' ' DG' . 29.7 tttm -54.11 -51.91 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.764 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.89 -48.8 67.57 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.909 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -66.74 -37.89 85.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.593 0.235 . . . . 0.0 110.892 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.405 ' O ' HG22 ' A' ' 41' ' ' VAL . 6.2 t80 -60.88 -47.13 87.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.723 ' NZ ' H2'' ' B' ' 8' ' ' ' DG' . 20.5 mtmt -61.38 -48.88 79.24 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.9 176.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.776 ' CZ ' ' H71' ' C' ' 19' ' ' ' DT' . 94.4 mtt-85 -55.91 -33.7 64.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.339 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.8 m -78.79 -57.97 3.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.232 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.633 ' HB ' HG11 ' A' ' 83' ' ' VAL . 21.9 t -70.58 -44.12 77.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -65.68 -43.31 89.62 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 111.471 -175.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -82.2 6.87 15.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.088 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 58.02 41.43 24.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.453 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -78.43 142.8 37.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.523 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -143.52 128.04 18.0 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.555 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -123.57 176.05 6.43 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.357 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -153.05 134.37 14.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.003 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.6 t -92.86 136.78 32.94 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.4 m -60.54 -52.11 66.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 0.0 110.854 -176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -131.89 156.92 45.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 p 46.81 86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.992 0.808 . . . . 0.0 111.798 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.63 -21.74 63.05 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.645 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.4 m -118.94 81.8 1.76 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.831 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.9 179.42 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.036 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.731 ' HB3' ' HZ1' ' A' ' 56' ' ' LYS . 5.0 mmmp? -75.91 105.39 6.93 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.0 mm -77.86 95.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.366 0.603 . . . . 0.0 109.728 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.94 -175.89 2.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.535 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -34.23 77.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.731 0.301 . . . . 0.0 111.401 -175.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.9 p -88.82 -48.03 7.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.123 0.487 . . . . 0.0 111.511 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.523 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 90.4 mt-30 -73.89 -7.62 53.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -172.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.428 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 38.6 ptt180 -75.9 -11.7 60.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.947 0.404 . . . . 0.0 110.322 176.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.869 ' HE3' " H4'" ' C' ' 19' ' ' ' DT' . 13.6 mmmm -92.83 -31.57 14.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.53 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 61' ' ' GLN . 12.7 ptm180 -79.06 -34.04 44.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.701 0.286 . . . . 0.0 111.708 -175.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.568 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 92.0 m -116.49 92.9 38.55 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 120.723 0.297 . . . . 0.0 111.634 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -66.63 -39.02 16.8 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.636 2.224 . . . . 0.0 111.445 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.8 -47.04 86.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.677 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.568 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 37.6 m -64.1 -35.5 80.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.482 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -68.0 -41.88 81.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.213 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -60.83 -50.76 72.12 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.26 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -57.96 -39.82 79.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.614 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.57 ' HG3' ' HB ' ' A' ' 15' ' ' VAL . 32.4 tptt -58.8 -44.56 90.78 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.465 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 69.0 m -59.09 -54.43 47.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.63 -40.09 93.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.335 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.8 m -63.79 -46.02 87.07 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 72' ' ' LYS . 27.2 m -69.78 -18.76 22.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.537 -176.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.86 15.88 3.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.419 -0.896 . . . . 0.0 114.067 172.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 86.7 mtp -75.04 124.4 26.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.419 0.609 . . . . 0.0 110.202 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.622 ' HA ' ' NE ' ' A' ' 79' ' ' ARG . 2.4 mmp_? -72.09 121.5 19.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.904 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.1 -29.23 60.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.927 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.73 -14.12 62.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.222 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.748 ' HB3' ' HZ ' ' A' ' 95' ' ' PHE . . . -79.77 -9.21 59.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.633 HG11 ' HB ' ' A' ' 41' ' ' VAL . 44.9 t -82.36 97.22 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.199 0.523 . . . . 0.0 110.389 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.855 ' HB3' H5'' ' B' ' 8' ' ' ' DG' . 21.4 tpt180 -79.05 78.01 5.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.264 175.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.04 -15.11 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.919 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 5.7 t70 -55.28 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.173 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.711 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 3.8 tpt180 165.82 -34.53 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.66 0.6 . . . . 0.0 110.057 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.557 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 11.2 tpt -52.72 114.84 1.53 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.279 -177.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.602 ' HA ' " C4'" ' B' ' 8' ' ' ' DG' . 99.4 mtt180 -67.35 -15.83 63.91 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.955 -177.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.628 ' HA3' " H5'" ' C' ' 27' ' ' ' DA' . . . -80.39 70.36 2.99 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.35 175.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.45 23.77 5.33 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.372 -0.442 . . . . 0.0 113.285 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.578 ' NH2' " H1'" ' B' ' 5' ' ' ' DC' . 86.4 mtt180 -83.22 106.13 14.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.424 0.631 . . . . 0.0 110.348 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.5 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 46.2 m-80 -95.56 -166.38 1.44 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.552 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -15.18 19.8 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -175.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.748 ' HZ ' ' HB3' ' A' ' 82' ' ' ALA . 38.9 p90 -96.71 10.77 37.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.718 0.294 . . . . 0.0 110.697 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.59 -47.58 44.92 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-O 119.541 -0.588 . . . . 0.0 114.065 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.608 ' HG3' ' OP1' ' C' ' 29' ' ' ' DC' . 53.2 Cg_exo -53.71 -28.21 46.03 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.729 2.286 . . . . 0.0 114.164 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 4.3 ppp? -63.24 -29.48 70.81 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.194 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.632 ' CB ' H5'' ' B' ' 6' ' ' ' DA' . 74.2 m-85 -59.69 -56.75 17.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.322 . . . . 0.0 111.427 -178.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.757 ' HD3' H5'' ' C' ' 29' ' ' ' DC' . 13.9 ptmm? -73.26 -29.87 63.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.737 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.44 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 14.4 ttm180 -65.29 -54.78 24.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.076 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.94 -40.36 92.98 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.208 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -62.31 -42.07 99.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.37 -30.98 68.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.444 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 84.5 mt -81.57 -44.39 17.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.125 0.488 . . . . 0.0 110.629 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.515 ' HZ3' ' CD ' ' A' ' 11' ' ' GLU . 61.0 tttm -60.52 -50.04 75.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.249 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -84.81 -66.55 0.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 62.62 13.5 6.36 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.316 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 143.55 55.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.135 176.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -92.98 171.12 9.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.355 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.135 178.1 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.823 H2'' ' H8 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 O5'-C5'-C4' 111.632 1.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.823 ' H8 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C4'-C3'-C2' 104.322 1.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 1.075 " H1'" " H5'" ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C4'-C3'-C2' 102.653 -0.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 1.075 " H5'" " H1'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 P-O3'-C3' 120.76 0.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 0.578 " H1'" ' NH2' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 C4'-C3'-C2' 102.423 -0.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.814 H2'' ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C4'-C3'-C2' 104.753 1.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.814 ' OP2' H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 P-O3'-C3' 122.178 2.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.855 H5'' ' HB3' ' A' ' 84' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 P-O3'-C3' 121.099 1.165 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.711 H5'' ' HD2' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 107.162 0.965 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.834 " H1'" " H5'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C4'-C3' 106.571 0.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.834 " H5'" " H1'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 107.514 1.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.826 H2'' ' C6 ' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 104.522 1.322 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.826 ' C6 ' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C4'-C3'-C2' 104.076 0.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.511 H2'' ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 102.403 -0.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.511 ' OP2' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 P-O3'-C3' 120.653 0.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.74 " C2'" ' H73' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.598 0 O5'-C5'-C4' 111.688 1.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.74 ' H73' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-C2' 107.063 0.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.669 H2'' ' C7 ' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C4'-C3'-C2' 104.666 1.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.869 " H4'" ' HE3' ' A' ' 63' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 P-O3'-C3' 120.773 0.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.996 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-N19 109.38 1.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.996 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 P-O3'-C3' 121.002 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.614 ' C5 ' H2'' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 P-O3'-C3' 120.365 0.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.498 H2'' ' OP2' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.19 0.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.518 H2'' ' OP2' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 O4'-C1'-C2' 107.128 0.935 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.524 H2'' ' H8 ' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 104.302 1.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 0.619 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-N19 109.368 1.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.628 " H5'" ' HA3' ' A' ' 90' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 106.912 0.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.788 H2'' ' C6 ' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C4'-C3'-C2' 104.732 1.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.788 ' C6 ' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C4'-C3'-C2' 104.694 1.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.669 ' C6 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C1'-O4'-C4' 110.457 0.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.962 0.41 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' H ' HG23 ' A' ' 20' ' ' VAL . 32.7 mm-40 -124.6 -177.13 3.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.776 -174.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.2 mt -97.53 145.0 26.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.103 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.44 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 53.7 t -76.39 120.12 80.29 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.784 -178.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.478 ' HG2' HG12 ' A' ' 76' ' ' VAL . 28.8 Cg_endo -64.55 -8.59 17.68 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.9 2.4 . . . . 0.0 112.889 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.624 HG12 ' HB3' ' A' ' 72' ' ' LYS . 82.0 t -82.92 -49.6 16.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.18 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 3.6 p -132.23 -14.69 2.97 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -169.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.92 -1.67 71.22 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.571 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.498 ' HB3' ' HG ' ' A' ' 30' ' ' CYS . 29.7 t0 -72.95 160.88 31.41 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.89 123.58 25.33 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 -175.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.588 HG21 HD13 ' A' ' 28' ' ' LEU . 10.6 m -75.54 139.26 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 111.035 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.5 t -93.09 5.68 50.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.163 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.02 178.83 15.47 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.091 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 88.8 m-85 -58.56 115.11 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.448 0.642 . . . . 0.0 111.827 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.66 ' HA ' ' OP2' ' B' ' 7' ' ' ' DG' . 12.9 m-70 -131.45 123.84 28.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.698 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.768 ' HE1' ' HG3' ' A' ' 34' ' ' LYS . 65.6 m-85 73.03 -71.6 0.13 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.125 0.57 . . . . 0.0 112.024 173.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 77' ' ' GLY . . . -129.67 -24.77 0.98 Allowed Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.123 -177.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -159.18 -176.54 5.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.588 HD13 HG21 ' A' ' 20' ' ' VAL . 2.3 pt? -76.95 115.08 16.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.749 0.785 . . . . 0.0 111.053 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 7.2 p -129.76 168.69 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.319 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.498 ' HG ' ' HB3' ' A' ' 18' ' ' ASP . 19.6 p -86.33 166.52 15.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.24 -29.69 69.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.093 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.471 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 50.5 m -55.27 -46.08 76.15 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.809 174.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -76.88 -43.01 37.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.898 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.768 ' HG3' ' HE1' ' A' ' 25' ' ' TYR . 33.1 ttpt -51.76 -49.96 61.59 Favored 'General case' 0 C--O 1.245 0.853 0 CA-C-O 121.359 0.6 . . . . 0.0 110.713 176.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.53 -52.16 41.76 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -60.42 -40.84 92.46 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.59 0.233 . . . . 0.0 111.129 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -58.16 -50.29 74.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.091 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.574 ' HG2' HG23 ' A' ' 83' ' ' VAL . 26.5 mtmm -59.14 -51.09 71.52 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.435 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -57.06 -46.93 82.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.299 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.8 m -63.12 -49.95 72.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.638 HG13 ' CG1' ' A' ' 83' ' ' VAL . 44.9 t -63.75 -49.21 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.734 -178.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.64 -34.8 79.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.808 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.477 ' N ' HD21 ' A' ' 43' ' ' ASN . 0.8 OUTLIER -83.52 -4.71 58.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -179.523 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.5 m120 59.94 27.95 17.39 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.37 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.46 ' HG3' ' CB ' ' A' ' 43' ' ' ASN . 90.9 mttt -72.72 114.62 11.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.957 -175.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -106.42 83.88 1.94 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.793 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -68.65 163.21 24.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.308 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 t -130.34 179.31 5.99 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.478 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 42.8 t -159.41 156.88 29.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -101.85 154.22 19.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.725 0.298 . . . . 0.0 111.042 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 59.71 -91.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.474 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.541 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 12.3 m -67.24 -57.68 6.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.712 -172.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 72.3 mt-30 69.86 -28.23 0.17 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.361 0.665 . . . . 0.0 111.996 -177.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 52' ' ' SER . 21.7 m -105.32 43.19 1.14 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 173.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.541 ' SG ' ' HB2' ' A' ' 52' ' ' SER . 61.6 m -62.51 171.59 1.91 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.529 -177.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -94.23 146.29 24.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.944 -176.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.709 HG13 ' HA ' ' A' ' 69' ' ' ARG . 50.9 mm -115.3 121.92 68.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.992 0.425 . . . . 0.0 110.4 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.508 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 7.4 m-20 -123.01 -172.01 2.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.863 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.7 -28.32 68.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.0 p -87.9 -49.92 6.77 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.928 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.508 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 36.5 mt-30 -79.24 8.07 6.61 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.212 -172.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.476 ' HA ' HG21 ' A' ' 57' ' ' ILE . 37.4 ptt180 -64.3 -33.3 75.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.644 ' HG2' H5'' ' C' ' 19' ' ' ' DT' . 84.0 mttt -97.88 -7.1 30.98 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 178.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.414 ' CD ' ' HA ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -67.44 -63.37 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -173.635 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.539 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.5 m -115.78 97.25 48.62 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.675 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.38 -40.14 51.15 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.555 2.17 . . . . 0.0 111.843 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -63.48 -46.52 85.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.482 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.695 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . 50.0 m -66.08 -30.64 71.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.683 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.95 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 70.3 ttt180 -67.89 -44.75 76.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.052 175.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -64.57 -48.06 76.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.559 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.695 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -70.13 -20.71 63.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.428 -179.474 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.801 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -71.26 -39.65 71.47 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.127 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.518 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 62.5 m -61.0 -38.5 86.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.672 174.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.92 -35.26 69.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.3 m -57.84 -43.11 85.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.478 HG12 ' HG2' ' A' ' 14' ' ' PRO . 33.6 m -80.05 -13.92 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.494 ' O ' ' HA3' ' A' ' 26' ' ' GLY . . . 105.23 26.41 6.28 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.121 -1.038 . . . . 0.0 114.308 171.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.518 ' SD ' ' HB3' ' A' ' 73' ' ' CYS . 79.7 mtp -72.92 113.72 10.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.503 0.652 . . . . 0.0 109.464 173.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -77.56 146.99 35.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.299 -170.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.73 -16.47 60.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.898 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.74 -0.03 28.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.896 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 25' ' ' TYR . . . -111.74 3.23 17.62 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.481 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.638 ' CG1' HG13 ' A' ' 41' ' ' VAL . 7.7 p -116.36 130.21 71.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.137 0.494 . . . . 0.0 110.333 176.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -138.42 133.41 32.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.247 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.1 2.29 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 166.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 87' ' ' ARG . 24.9 t70 -62.09 -16.07 49.73 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.269 -1.332 . . . . 0.0 112.269 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.976 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 5.3 tpp180 81.89 -16.08 0.65 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.447 0.699 . . . . 0.0 111.36 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.7 tpp -66.6 115.16 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.731 ' HB3' ' H22' ' B' ' 7' ' ' ' DG' . 64.4 mtt180 -81.29 58.57 3.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.077 -178.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.22 -132.65 4.75 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.869 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.841 ' H ' " H4'" ' C' ' 27' ' ' ' DA' . . . 69.13 76.41 0.47 Allowed Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.631 -0.587 . . . . 0.0 111.631 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.703 ' O ' H5'' ' C' ' 28' ' ' ' DG' . 23.2 ttm180 -148.89 110.83 4.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.975 0.417 . . . . 0.0 111.038 -174.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -104.15 -46.1 4.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.938 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -73.26 -16.87 61.38 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.524 ' O ' ' HG3' ' A' ' 98' ' ' MET . 83.8 m-85 -117.81 0.73 12.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.866 0.365 . . . . 0.0 110.341 174.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.421 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -58.0 -56.47 25.02 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 116.041 -0.527 . . . . 0.0 113.39 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 42.1 Cg_endo -68.38 -29.1 32.1 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.521 2.147 . . . . 0.0 113.58 -177.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.524 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 4.9 ppp? -69.93 -29.89 67.15 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.753 -172.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.667 ' CB ' H5'' ' B' ' 6' ' ' ' DA' . 47.3 m-85 -67.63 -49.69 61.7 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.344 0.593 . . . . 0.0 109.778 173.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -61.86 -42.66 99.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.863 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.548 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 37.2 ttm180 -58.54 -54.07 51.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.047 -0.978 . . . . 0.0 110.947 179.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.49 -33.42 74.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.573 -175.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.454 ' HA ' ' HE2' ' A' ' 23' ' ' TYR . 24.9 tpt180 -65.28 -44.65 87.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.284 176.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.06 87.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.846 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 92.8 mt -66.53 -34.35 77.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.181 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -67.81 -28.96 68.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -99.8 9.55 42.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.789 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -95.37 121.77 37.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.97 0.414 . . . . 0.0 110.762 -176.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -92.29 -40.14 11.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.365 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -84.69 96.77 9.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.93 -176.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.983 177.166 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.569 0 O5'-C5'-C4' 111.489 0.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.585 " H1'" " H5'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C4'-C3'-C2' 104.229 1.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.638 H2'' ' C7 ' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-N19 108.762 1.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.69 ' H73' ' OP2' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C1'-O4'-C4' 110.34 0.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 0.446 ' C6 ' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 106.734 0.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.784 " H1'" " H5'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-N19 108.146 0.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.784 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.469 1.245 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.731 ' OP2' H2'' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 P-O3'-C3' 121.535 1.529 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.976 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 P-O3'-C3' 120.843 0.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.831 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 104.712 1.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.831 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C4'-C3'-C2' 105.276 2.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.629 H2'' ' C5 ' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C3'-C2'-C1' 101.83 -0.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.823 " H1'" " H5'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-N19 108.261 0.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.823 " H5'" " H1'" ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.482 1.256 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C4'-C3'-C2' 104.425 1.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.602 H2'' ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.676 0 O5'-C5'-C4' 111.523 0.945 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.602 ' H72' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C4'-C3' 106.096 0.496 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.674 H2'' ' C6 ' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C4'-C3'-C2' 104.368 1.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.95 " H3'" HH12 ' A' ' 69' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C4'-C3'-C2' 104.403 1.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.545 H2'' ' OP2' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-N19 108.45 0.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.987 " H1'" " H5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.659 0.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.987 " H5'" " H1'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 107.395 1.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.506 ' OP2' H2'' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 P-O3'-C3' 120.836 0.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.69 H2'' ' OP2' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.313 1.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.69 ' OP2' H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-C2' 107.777 1.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 0.654 " O4'" " H1'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-N19 109.034 1.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.841 " H4'" ' H ' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.148 0.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.703 H5'' ' O ' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.263 1.057 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.453 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C1'-N19 108.8 1.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.453 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C1'-O4'-C4' 110.524 0.588 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 122.092 0.948 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.543 ' HG3' ' HG ' ' A' ' 28' ' ' LEU . 5.7 mm-40 -82.09 152.35 26.62 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.506 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.7 mt -108.18 137.08 46.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.802 0.334 . . . . 0.0 110.618 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.434 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 51.3 t -63.97 118.44 45.75 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.29 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.08 -12.53 36.41 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.787 2.325 . . . . 0.0 112.268 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.434 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 84.4 t -76.65 -56.61 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.469 178.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.1 p -111.58 -55.57 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 111.748 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.48 -1.93 4.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.913 -175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.18 153.8 40.55 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -71.76 132.71 44.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.941 0.401 . . . . 0.0 110.522 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' A' ' 28' ' ' LEU . 10.0 m -75.98 163.78 3.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.87 -172.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.6 t -112.88 16.24 19.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.541 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.09 -178.3 17.62 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.142 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -75.99 114.67 14.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.71 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 78.5 m-70 -140.13 134.08 30.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.618 0.246 . . . . 0.0 111.385 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.544 ' HD1' ' HB3' ' A' ' 24' ' ' HIS . 72.8 m-85 70.19 6.04 5.59 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 167.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.3 -35.26 1.91 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.575 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -150.41 -168.28 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.502 0.192 . . . . 0.0 110.739 179.343 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.602 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.2 mm? -72.07 115.28 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.71 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 2.9 p -132.42 155.31 48.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.317 0.58 . . . . 0.0 111.434 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.9 p -96.71 154.65 17.16 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.382 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 61.9 mm-40 -64.62 -22.51 66.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.263 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.503 ' HA ' " H2'" ' C' ' 20' ' ' ' DG' . 17.2 p -62.76 -44.1 97.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.043 0.449 . . . . 0.0 110.571 176.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.5 m -78.71 -36.78 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.648 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.549 ' NZ ' " H2'" ' B' ' 7' ' ' ' DG' . 61.1 tttp -58.92 -43.12 91.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.785 0.326 . . . . 0.0 110.424 176.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.0 -49.39 54.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.21 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -56.34 -45.33 80.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.834 0.35 . . . . 0.0 110.946 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.599 ' O ' HG21 ' A' ' 41' ' ' VAL . 30.2 t80 -55.8 -51.47 67.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.037 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HD3' ' C8 ' ' B' ' 8' ' ' ' DG' . 53.3 mtmt -59.0 -45.42 90.7 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.428 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -58.88 -40.56 84.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.94 0.4 . . . . 0.0 110.836 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.4 m -68.25 -52.28 35.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.01 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.689 HG22 HG23 ' A' ' 83' ' ' VAL . 16.0 m -68.65 -48.96 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.483 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 11.6 mm-40 -70.14 -35.82 74.32 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -85.24 1.11 49.64 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.611 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.473 ' N ' HD21 ' A' ' 44' ' ' ASN . 0.9 OUTLIER 63.19 28.14 15.81 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.22 0.534 . . . . 0.0 110.111 -179.551 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -78.73 140.79 38.25 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.947 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -141.27 116.78 10.2 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.638 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' CD2' ' HB2' ' A' ' 66' ' ' PRO . 97.9 m-85 -91.58 174.75 7.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.523 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -133.81 151.15 51.48 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.857 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -125.08 119.61 29.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.888 0.375 . . . . 0.0 110.109 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 p -88.08 2.17 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.651 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -102.06 -149.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.401 -175.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -75.2 -4.43 38.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.827 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 71.02 -45.8 0.62 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.455 0.702 . . . . 0.0 111.809 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 m -85.77 62.63 7.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.261 0.553 . . . . 0.0 109.58 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.1 m -84.62 165.8 17.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.487 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -82.58 114.56 21.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.462 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.5 mm -93.11 96.54 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.984 0.421 . . . . 0.0 110.45 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -120.93 -163.64 1.04 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.024 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.782 ' HZ2' ' HB2' ' A' ' 59' ' ' LYS . 9.7 mtmp? -61.12 -38.41 86.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.745 0.307 . . . . 0.0 111.556 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.7 p -88.61 -50.31 6.34 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -87.54 12.2 13.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -173.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.505 ' HD2' ' OP1' ' C' ' 20' ' ' ' DG' . 24.2 ptt180 -65.43 -31.57 72.73 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.536 177.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.489 ' HB3' H5'' ' C' ' 19' ' ' ' DT' . 16.1 ptpt -96.83 -17.0 20.49 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.912 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.429 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 1.7 mmp_? -64.26 -43.2 95.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.923 0.392 . . . . 0.0 110.548 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.654 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 49.4 m -126.42 85.39 60.27 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.459 174.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.475 ' HB2' ' CD2' ' A' ' 47' ' ' TYR . 14.0 Cg_exo -68.52 -31.03 27.99 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.763 2.309 . . . . 0.0 111.974 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -68.14 -41.54 81.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.124 0.488 . . . . 0.0 109.689 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.654 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 56.8 m -64.82 -37.53 87.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.32 177.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -70.45 -36.1 73.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.21 -50.37 72.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.129 0.49 . . . . 0.0 110.032 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.8 -28.68 67.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.617 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HB3' HG12 ' A' ' 15' ' ' VAL . 20.3 tptm -59.37 -45.01 92.63 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.068 174.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.443 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 63.0 m -59.66 -50.22 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.827 176.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.669 HD12 ' HG ' ' A' ' 80' ' ' LEU . 1.7 mm? -57.46 -37.34 72.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.635 177.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.8 m -65.47 -47.82 74.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.779 -177.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.417 HG21 HD11 ' A' ' 27' ' ' LEU . 30.9 m -66.87 -22.46 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.479 -174.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.01 -0.17 3.24 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.36 -0.924 . . . . 0.0 113.671 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.443 ' SD ' ' HB3' ' A' ' 73' ' ' CYS . 82.9 mtp -70.45 132.51 45.68 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 117.107 0.454 . . . . 0.0 110.678 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.403 ' HB2' ' HB1' ' A' ' 82' ' ' ALA . 13.4 mmt180 -97.45 142.64 29.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.095 -174.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.669 ' HG ' HD12 ' A' ' 74' ' ' LEU . 96.6 mt -75.73 -34.48 60.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.752 0.787 . . . . 0.0 109.391 173.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -71.73 6.01 2.2 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.332 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' ' 79' ' ' ARG . . . -98.95 4.08 47.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.078 0.466 . . . . 0.0 110.457 176.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.689 HG23 HG22 ' A' ' 41' ' ' VAL . 5.7 p -129.62 119.92 49.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.459 0.647 . . . . 0.0 110.128 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -107.09 133.93 50.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.992 -177.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.92 -29.94 44.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.901 -174.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.56 -80.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.55 ' CD ' H5'' ' B' ' 9' ' ' ' DG' . 5.7 tpp180 -179.67 113.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 175.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.71 ' O ' H5'' ' B' ' 8' ' ' ' DG' . 40.1 tpp -152.93 98.5 2.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 175.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.539 ' CZ ' " H4'" ' C' ' 25' ' ' ' DT' . 23.0 mtm180 -93.52 8.43 40.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.434 -178.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.72 112.4 4.45 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 174.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.404 ' HA2' " C4'" ' B' ' 7' ' ' ' DG' . . . -67.75 -19.59 71.47 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.369 -0.443 . . . . 0.0 113.98 -174.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.77 ' HD2' " H4'" ' C' ' 28' ' ' ' DG' . 65.9 mtt180 -106.21 94.83 5.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.304 -0.527 . . . . 0.0 110.941 -178.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -110.77 -138.59 0.38 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.58 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -57.51 -28.98 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.265 0.555 . . . . 0.0 110.452 174.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.471 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 73.3 m-85 -81.2 3.24 24.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.065 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.451 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -58.27 -58.25 15.58 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-O 119.747 -0.474 . . . . 0.0 113.368 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 10.4 Cg_endo -54.34 -45.5 40.52 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.844 2.363 . . . . 0.0 112.915 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.9 ptm -70.75 -30.45 66.96 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.734 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 15.3 t80 -63.75 -46.76 83.87 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.451 0.643 . . . . 0.0 109.83 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -59.96 -47.2 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.243 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.49 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 41.7 ttm180 -66.35 -44.89 82.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.263 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -46.25 82.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.111 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -64.68 -39.28 93.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.347 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.96 -40.13 94.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.728 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 84.9 mt -67.25 -30.58 70.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.801 178.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -66.74 -32.14 73.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.592 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -87.09 -38.22 16.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.576 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -68.3 140.08 55.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.738 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 109' ' ' LYS . 2.9 mptp? -88.98 -64.92 1.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -140.29 161.38 37.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.114 0.483 . . . . 0.0 111.011 178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.702 178.557 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.461 H2'' ' OP2' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 O5'-C5'-C4' 111.274 0.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.502 H2'' ' C6 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 P-O3'-C3' 120.652 0.793 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.69 " C2'" ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.42 0.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.847 H2'' ' C5 ' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 O4'-C1'-N19 108.24 0.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 0.847 ' C5 ' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-N19 108.28 0.6 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.471 H2'' ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-N19 108.518 0.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.549 " H2'" ' NZ ' ' A' ' 34' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C1'-O4'-C4' 110.469 0.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.71 H5'' ' O ' ' A' ' 88' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C1'-C2' 107.457 1.233 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.684 ' OP2' H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C4'-C3'-C2' 104.795 1.595 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-N19 108.447 0.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.442 H2'' ' H8 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C4'-C3'-C2' 105.318 2.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.442 ' H8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C4'-C3'-C2' 104.106 0.906 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-N19 108.498 0.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.674 H2'' ' C8 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-C2' 106.834 0.667 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.674 ' C8 ' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C3'-C2'-C1' 101.668 -0.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.806 H2'' ' C5 ' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O5'-C5'-C4' 111.5 0.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.806 ' C5 ' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-N19 108.571 0.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.571 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.501 1.273 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.571 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C4'-C3'-C2' 104.574 1.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.583 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-N19 108.353 0.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.686 " H1'" " H5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 107.093 0.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.83 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 P-O3'-C3' 121.383 1.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.83 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.548 1.316 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.819 H2'' ' C6 ' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C4'-C3'-C2' 104.752 1.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.819 ' C6 ' H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C4'-C3'-C2' 104.744 1.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 0.916 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C4'-C3'-C2' 104.65 1.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.916 ' C8 ' H2'' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 104.683 1.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.878 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.313 1.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.492 ' C6 ' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 P-O3'-C3' 120.659 0.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.472 ' OP2' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 107.112 0.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 CA--C 1.515 -0.373 0 CA-C-O 121.433 0.635 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.578 ' HG3' HD23 ' A' ' 28' ' ' LEU . 7.3 mm-40 -116.56 156.02 27.68 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.909 -176.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.456 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 7.0 mp -109.5 143.78 38.68 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.149 0.499 . . . . 0.0 110.809 172.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.497 ' SG ' HG12 ' A' ' 20' ' ' VAL . 21.8 m -60.89 129.45 90.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.984 -176.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HG2' HG23 ' A' ' 76' ' ' VAL . 58.8 Cg_endo -70.81 -0.67 8.13 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.922 2.415 . . . . 0.0 112.242 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 72' ' ' LYS . 47.6 t -100.77 -69.88 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.703 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 20.8 p -82.21 -12.8 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.779 -174.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.71 40.64 93.96 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.12 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.504 ' HB2' ' NH1' ' A' ' 62' ' ' ARG . 2.7 t70 -137.89 166.92 22.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 26.1 mtmm -57.06 145.58 30.28 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.826 0.451 . . . . 0.0 111.417 -173.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.497 HG12 ' SG ' ' A' ' 13' ' ' CYS . 20.3 m -90.43 164.11 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 111.405 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.8 t -100.99 -1.37 34.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.01 99.96 2.39 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.066 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.591 ' OH ' ' HD3' ' A' ' 103' ' ' ARG . 87.8 m-85 57.06 -151.61 0.41 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 122.376 0.27 . . . . 0.0 111.194 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.596 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 4.9 m-70 127.06 -29.48 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.639 1.976 . . . . 0.0 108.868 171.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.452 ' C ' ' H ' ' A' ' 27' ' ' LEU . 95.9 m-85 -138.62 -151.69 0.39 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.78 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 31.48 1.2 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.993 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 25' ' ' TYR . 1.7 pp 176.55 -178.35 0.15 Allowed 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.578 HD23 ' HG3' ' A' ' 11' ' ' GLU . 6.6 mp -86.17 119.75 26.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.054 0.454 . . . . 0.0 110.808 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.596 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 30.9 p -128.11 172.61 10.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.156 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 25.5 p -111.13 -179.26 3.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 176.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -65.94 -27.38 68.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.707 0.289 . . . . 0.0 110.456 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.419 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 18.8 t -68.12 -39.48 82.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.299 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.427 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 74.3 m -67.69 -52.42 38.01 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.423 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.517 ' HD2' ' N7 ' ' B' ' 8' ' ' ' DG' . 27.5 ttpp -61.15 -37.86 84.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.829 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -62.62 -56.83 19.15 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.406 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -63.95 -38.62 91.76 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.655 0.264 . . . . 0.0 111.362 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.0 t80 -58.53 -52.74 64.39 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.645 ' HE2' ' C8 ' ' B' ' 9' ' ' ' DG' . 23.9 mtpp -62.66 -39.65 94.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.313 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.582 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 33.9 mmt180 -49.94 -50.39 46.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.769 0.318 . . . . 0.0 110.835 176.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 m -65.66 -57.99 6.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.719 HG21 HG22 ' A' ' 83' ' ' VAL . 16.2 m -65.01 -45.36 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -79.05 -35.93 41.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.017 0.437 . . . . 0.0 111.933 -172.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.582 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -81.88 -4.69 57.14 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 61.62 40.42 13.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.964 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -92.73 158.04 16.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.791 -174.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -129.59 95.82 4.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.611 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -82.77 160.64 22.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.411 -176.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -143.44 -175.74 4.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.219 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.561 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 53.7 t -135.24 146.89 49.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.7 p -90.09 -18.37 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.494 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -91.51 -93.08 0.14 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.165 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 12.7 p -122.81 -2.6 8.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.898 -173.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.561 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 28.2 mt-30 72.32 -38.42 0.42 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.225 0.61 . . . . 0.0 111.738 -176.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.2 m -101.85 72.45 1.35 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.351 0.596 . . . . 0.0 109.404 173.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 56.8 m -100.21 170.71 8.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.739 -177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -89.97 143.61 26.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.133 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.69 107.21 21.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.32 0.581 . . . . 0.0 110.186 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 37.7 t70 -124.36 179.85 4.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.013 -179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 27.2 ttpp -56.69 -36.24 69.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.055 0.455 . . . . 0.0 110.823 -178.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.1 p -84.23 -28.01 27.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.04 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -103.97 -8.86 19.31 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.504 ' NH1' ' HB2' ' A' ' 18' ' ' ASP . 34.7 ptt180 -71.57 -20.39 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.814 0.34 . . . . 0.0 111.153 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' NZ ' " H4'" ' B' ' 15' ' ' ' DG' . 17.4 ptpt -97.12 -6.4 35.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.012 0.434 . . . . 0.0 110.617 173.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.496 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 67.8 mtp180 -90.94 -62.63 1.41 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.732 -174.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.622 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 77.1 m -94.11 103.15 9.79 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -176.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 56.6 Cg_endo -74.53 -42.67 0.58 Allowed 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.168 1.912 . . . . 0.0 111.819 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.31 -46.39 90.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 0.0 110.295 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.622 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 25.6 m -63.37 -39.59 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 62' ' ' ARG . 61.8 ttt180 -66.48 -40.62 89.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.759 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.6 -50.78 71.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.063 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -59.09 -41.87 89.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.323 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.635 ' HB3' HG13 ' A' ' 15' ' ' VAL . 22.2 tptp -53.23 -44.45 68.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.778 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.404 ' SG ' HG12 ' A' ' 15' ' ' VAL . 78.8 m -58.88 -56.56 20.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.611 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.88 -29.18 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.524 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -65.8 -50.03 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 111.518 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.427 HG23 ' HG2' ' A' ' 14' ' ' PRO . 33.3 m -71.47 -22.08 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.658 -174.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.43 5.46 2.93 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.216 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 85.4 mtp -71.0 109.59 5.19 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.451 ' HB3' ' OE1' ' A' ' 81' ' ' GLU . 31.5 mmt180 -76.13 135.29 39.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.72 -173.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.546 ' O ' HG13 ' A' ' 83' ' ' VAL . 24.7 tp -72.13 -34.18 68.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.678 -176.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.451 ' OE1' ' HB3' ' A' ' 79' ' ' ARG . 1.2 pm0 -76.05 6.49 5.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.624 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.415 ' HB3' ' HD2' ' A' ' 25' ' ' TYR . . . -85.83 -2.76 58.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.059 0.457 . . . . 0.0 110.587 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.719 HG22 HG21 ' A' ' 41' ' ' VAL . 12.6 p -102.11 142.33 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.902 175.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.617 ' NH1' " H5'" ' B' ' 8' ' ' ' DG' . 65.6 mtt180 -108.87 122.12 46.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -176.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.7 -21.8 32.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.123 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 13.3 m-20 -74.85 -73.35 0.25 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.562 ' HA ' ' OP1' ' B' ' 9' ' ' ' DG' . 4.5 tpp180 -179.75 -91.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.894 170.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.636 ' SD ' H5'' ' C' ' 26' ' ' ' DG' . 53.8 tpp 45.82 86.7 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.526 0.517 . . . . 0.0 110.582 -172.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.786 ' O ' " H1'" ' C' ' 25' ' ' ' DT' . 67.1 mtp180 -76.31 61.13 1.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.63 -172.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.548 ' HA2' " H1'" ' B' ' 7' ' ' ' DG' . . . 129.39 -177.63 17.87 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.45 175.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.679 ' O ' " H4'" ' B' ' 7' ' ' ' DG' . . . 76.25 165.33 19.72 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.314 -0.469 . . . . 0.0 113.3 174.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.627 ' O ' " H4'" ' C' ' 27' ' ' ' DA' . 0.0 OUTLIER -108.13 175.58 5.43 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.429 ' OD1' ' HG3' ' A' ' 94' ' ' LYS . 25.2 t-20 -164.14 -70.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.922 0.391 . . . . 0.0 110.347 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.429 ' HG3' ' OD1' ' A' ' 93' ' ' ASN . 54.7 mttp -84.13 -35.15 23.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.593 0.711 . . . . 0.0 109.88 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.435 ' HB3' ' HD2' ' A' ' 99' ' ' TYR . 71.5 m-85 -87.59 52.2 2.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.426 -178.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.04 -72.08 1.16 Allowed Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.427 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.12 -47.67 19.2 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.179 2.586 . . . . 0.0 112.885 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -63.93 -29.06 70.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.631 0.253 . . . . 0.0 111.351 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.455 ' OH ' ' HB3' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -69.89 -55.97 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.377 -178.275 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -64.73 -30.36 71.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.672 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.442 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 64.5 ttt180 -63.19 -47.94 80.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.095 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.08 -44.3 97.57 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.749 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.591 ' HD3' ' OH ' ' A' ' 23' ' ' TYR . 15.4 tpt180 -56.72 -49.1 76.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.09 177.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.26 -38.02 87.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.456 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.452 ' HA ' ' HG3' ' A' ' 108' ' ' GLN . 88.3 mt -76.73 -33.38 58.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.822 0.344 . . . . 0.0 111.433 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -67.34 -25.86 66.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.185 0.517 . . . . 0.0 110.432 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -101.33 -68.73 0.8 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.783 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.452 ' HG3' ' HA ' ' A' ' 105' ' ' LEU . 25.4 mt-30 58.28 -177.39 0.07 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.664 0.745 . . . . 0.0 112.574 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.74 137.06 53.19 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.177 172.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.81 -45.52 13.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.88 0.371 . . . . 0.0 110.641 -176.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.631 -0.7 . . . . 0.0 110.213 178.15 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.669 H2'' ' OP2' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.622 0 O5'-C5'-C4' 111.8 1.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.669 ' OP2' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 P-O3'-C3' 120.853 0.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.755 H2'' ' C6 ' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 P-O3'-C3' 120.583 0.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.755 ' C6 ' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C4'-C3'-C2' 104.545 1.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 0.609 ' C5 ' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C4'-C3' 106.59 0.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.532 H2'' ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.306 0.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.679 " H4'" ' O ' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 P-O3'-C3' 121.113 1.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.657 " H1'" " H5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C4'-C3'-C2' 104.744 1.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.749 " H4'" ' HG2' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 P-O3'-C3' 120.671 0.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.904 " H1'" " H5'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C1'-N19 108.425 0.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.904 " H5'" " H1'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 O4'-C1'-C2' 107.445 1.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.869 " H5'" " H1'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 P-O3'-C3' 120.818 0.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.638 ' C6 ' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C4'-C3'-C2' 104.035 0.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.679 " H1'" " H5'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C1'-O4'-C4' 110.443 0.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.679 " H5'" " H1'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C1'-C2' 107.568 1.335 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.771 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.575 0 O4'-C1'-N19 108.693 1.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.771 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 P-O3'-C3' 120.907 1.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.69 H2'' ' C5 ' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 104.057 0.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.69 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C4'-C3' 106.395 0.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.632 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 104.555 -1.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.632 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 P-O3'-C3' 120.903 1.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.764 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-N19 108.346 0.682 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.829 H2'' ' C5 ' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 P-O3'-C3' 120.948 1.04 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.829 ' C5 ' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C4'-C3'-C2' 102.173 -1.027 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.786 " H1'" ' O ' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-N19 108.593 0.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 1.052 " H1'" " H5'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 C4'-C3'-C2' 104.747 1.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 1.052 " H5'" " H1'" ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 P-O3'-C3' 121.985 1.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.648 ' C8 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 108.736 1.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.606 " H5'" " H1'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 P-O3'-C3' 121.324 1.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.418 ' H6 ' " H2'" ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-C2' 107.56 1.327 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.191 0.519 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 20' ' ' VAL . 47.9 mt-10 -140.63 158.61 43.72 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.49 138.99 33.25 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.284 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 49.5 t -62.74 118.31 40.4 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.905 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.4 -11.52 23.2 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.889 2.393 . . . . 0.0 112.599 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.455 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 95.0 t -85.9 -66.01 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.966 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.48 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 25.9 p -91.59 -14.19 30.68 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -171.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.18 43.48 47.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.941 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.557 ' HB2' ' NH1' ' A' ' 62' ' ' ARG . 2.5 t70 -141.43 160.25 40.52 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -57.14 135.46 56.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.834 0.349 . . . . 0.0 111.556 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.591 HG12 ' HB3' ' A' ' 28' ' ' LEU . 35.1 m -80.57 146.52 7.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 p -91.18 -13.2 33.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.254 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.17 -159.81 33.28 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.686 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -108.1 113.44 26.58 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.57 ' HA ' ' P ' ' B' ' 7' ' ' ' DG' . 76.1 m-70 -132.56 152.67 51.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.693 -176.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 65.74 -82.96 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.66 0.6 . . . . 0.0 111.272 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.87 19.71 0.43 Allowed Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.777 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.6 173.29 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.0 111.102 -175.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.591 ' HB3' HG12 ' A' ' 20' ' ' VAL . 3.7 mm? -72.63 117.78 14.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.761 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.484 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -138.75 153.31 48.45 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.541 -173.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.8 p -97.74 162.99 13.0 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.457 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -61.63 -33.11 73.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.952 0.406 . . . . 0.0 110.747 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.755 ' HB2' " H2'" ' C' ' 20' ' ' ' DG' . 34.3 t -55.78 -52.96 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.928 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.6 m -63.78 -50.41 69.12 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -174.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -67.15 -23.18 65.76 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.115 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.36 -50.59 49.29 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.397 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -69.86 -40.77 75.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.612 0.244 . . . . 0.0 110.594 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -53.29 -55.03 27.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.663 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 1.001 ' HZ3' " H2'" ' B' ' 8' ' ' ' DG' . 57.0 mtmt -71.42 -31.12 66.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.876 -177.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.423 ' CZ ' ' H71' ' C' ' 19' ' ' ' DT' . 11.3 mtm180 -62.71 -41.74 99.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.599 174.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.5 m -65.45 -48.71 71.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.419 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.582 HG13 HG13 ' A' ' 83' ' ' VAL . 54.8 t -61.67 -51.24 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.048 -179.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -59.34 -40.83 87.58 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.44 ' CB ' ' HG3' ' A' ' 45' ' ' LYS . 51.3 m-80 -83.97 -3.5 58.03 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.702 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.48 31.42 21.01 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.374 0.607 . . . . 0.0 109.543 -176.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' HG3' ' CB ' ' A' ' 43' ' ' ASN . 85.4 mttt -70.16 111.59 5.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.473 -174.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -102.51 89.48 3.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.609 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 94.4 m-85 -72.41 165.66 24.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.75 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -139.93 146.36 39.09 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.4 t -114.56 16.18 17.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.921 0.391 . . . . 0.0 110.655 -173.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.434 HG22 ' HG3' ' A' ' 51' ' ' GLU . 28.1 m 65.36 -76.27 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.534 -173.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' HG3' HG22 ' A' ' 50' ' ' THR . 45.2 mt-10 -131.54 171.85 12.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 p 47.46 72.39 0.26 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.543 0.687 . . . . 0.0 110.496 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -66.2 -19.54 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.106 -174.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.1 p -113.89 79.59 1.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.794 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.1 m -81.05 167.28 19.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.56 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -75.23 110.81 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.141 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.2 mm -80.6 103.76 8.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.902 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -111.15 175.45 5.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.837 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -59.3 -26.49 65.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.388 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.6 p -88.97 -50.21 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.585 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -80.91 -0.29 38.54 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -171.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.557 ' NH1' ' HB2' ' A' ' 18' ' ' ASP . 30.3 ptt180 -73.1 -14.35 61.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.042 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.695 ' HG2' " C5'" ' C' ' 19' ' ' ' DT' . 54.7 mttp -96.67 -6.86 35.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.893 0.378 . . . . 0.0 110.684 170.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.536 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 12.3 mtp180 -92.31 -54.02 3.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.758 -174.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.452 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 85.1 m -105.49 100.22 25.16 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.766 0.317 . . . . 0.0 111.587 -177.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 16.9 Cg_exo -68.12 -49.76 0.92 Allowed 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.726 2.284 . . . . 0.0 111.783 178.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.472 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 90.3 t80 -62.34 -42.89 99.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.747 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 56.7 m -64.88 -35.57 81.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.73 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 1.002 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 77.7 ttt180 -72.46 -34.1 67.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.058 178.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -64.04 -49.68 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.206 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -67.7 -29.05 68.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.01 179.054 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.455 ' HG3' ' HA ' ' A' ' 15' ' ' VAL . 42.4 tptt -60.34 -45.83 92.08 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.497 173.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 75.0 m -59.57 -41.7 90.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.257 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.33 -38.68 81.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.118 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.2 m -55.26 -46.38 76.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.956 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.6 m -77.5 -15.89 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.075 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.73 30.05 4.74 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 119.945 -1.121 . . . . 0.0 114.065 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 66.0 mtp -73.56 106.14 5.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 172.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -66.41 126.08 27.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.327 -169.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.19 -22.87 65.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.194 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -65.12 -23.42 67.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.022 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.92 -34.07 39.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.276 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.582 HG13 HG13 ' A' ' 41' ' ' VAL . 2.8 p -78.97 97.22 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 110.218 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -92.73 104.67 16.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.798 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.64 -1.0 9.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.426 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -83.08 9.91 9.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.247 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.762 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 12.1 tpp180 71.5 17.87 5.59 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.659 177.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.449 ' O ' " H4'" ' B' ' 8' ' ' ' DG' . 79.2 mmm -83.7 104.47 13.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.441 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.696 ' HG2' " H1'" ' B' ' 8' ' ' ' DG' . 99.4 mtt180 -85.79 58.31 4.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.268 -176.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.09 -176.55 31.14 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.448 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.456 ' N ' H5'' ' C' ' 27' ' ' ' DA' . . . 138.1 69.72 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 1.048 ' HB2' H5'' ' C' ' 28' ' ' ' DG' . 66.3 mtt180 -83.22 85.07 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -135.57 -73.87 0.45 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -65.75 -31.44 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.187 0.517 . . . . 0.0 110.614 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -85.83 -6.13 59.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.615 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.91 -68.17 1.41 Allowed Glycine 0 C--N 1.331 0.291 0 O-C-N 123.487 0.492 . . . . 0.0 113.365 -175.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -53.1 -53.23 7.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.74 2.293 . . . . 0.0 113.235 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.2 ptm -62.59 -37.7 87.25 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -70.28 -49.23 51.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.968 0.414 . . . . 0.0 110.041 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -59.55 -42.83 93.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.201 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.444 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 52.4 ttt180 -66.25 -48.75 69.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.953 -176.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.12 -47.75 84.81 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.045 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -60.8 -40.87 94.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.374 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.24 -37.09 80.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.509 HD13 ' HE2' ' A' ' 110' ' ' LYS . 80.5 mt -70.47 -23.02 62.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.345 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -82.73 -15.73 50.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.925 0.393 . . . . 0.0 111.05 175.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -89.85 -41.57 11.75 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.857 ' HG2' ' H ' ' A' ' 109' ' ' LYS . 11.4 tt0 -88.97 -162.44 0.86 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.03 -0.987 . . . . 0.0 108.605 173.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.857 ' H ' ' HG2' ' A' ' 108' ' ' GLN . 65.7 mttm -131.53 156.54 45.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 170.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.509 ' HE2' HD13 ' A' ' 105' ' ' LEU . 93.1 mttt -92.21 115.45 28.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.94 0.4 . . . . 0.0 110.811 -174.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.681 -0.676 . . . . 0.0 110.216 179.744 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.592 0 O5'-C5'-C4' 111.659 1.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.76 H2'' ' C5 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C3'-C2'-C1' 101.48 -0.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.76 ' C5 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C1'-O4'-C4' 110.427 0.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.793 H2'' ' C6 ' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 P-O3'-C3' 120.59 0.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 0.793 ' C6 ' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C4'-C3'-C2' 104.338 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.486 H2'' ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 P-O3'-C3' 120.515 0.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.581 H2'' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-N19 108.839 1.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 1.001 " H2'" ' HZ3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.316 1.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.762 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C4'-C3'-C2' 104.499 1.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.708 H2'' ' OP2' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C4'-C3' 106.298 0.698 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.708 ' OP2' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-C2' 107.488 1.262 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.432 ' H8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.269 1.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.468 H2'' ' C8 ' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 104.666 1.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.666 H2'' ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-N19 108.383 0.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.666 ' OP2' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 P-O3'-C3' 120.583 0.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.747 " C2'" ' H71' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.432 -0.515 0 O5'-C5'-C4' 111.727 1.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.747 ' H71' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C1'-O4'-C4' 110.579 0.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.78 H2'' ' OP2' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-N19 109.564 2.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 1.002 " H3'" HH12 ' A' ' 69' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 P-O3'-C3' 120.835 0.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 1.016 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 104.529 1.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 1.016 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 107.546 1.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.513 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 P-O3'-C3' 120.439 0.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.513 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 P-O3'-C3' 120.833 0.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.708 H2'' ' OP2' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.443 1.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.743 H2'' ' H8 ' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 P-O3'-C3' 121.838 1.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 0.743 ' H8 ' H2'' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-N19 108.565 0.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.723 " H1'" " O4'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 105.134 1.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 1.048 H5'' ' HB2' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 P-O3'-C3' 120.577 0.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.941 ' C6 ' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C4'-C3'-C2' 104.446 1.246 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 107.231 1.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 CA--C 1.518 -0.285 0 CA-C-O 121.271 0.558 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -128.75 151.37 49.63 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.358 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.1 mt -107.85 135.2 49.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.08 0.467 . . . . 0.0 110.948 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.67 114.99 18.28 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.355 176.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.607 ' HB2' HG13 ' A' ' 76' ' ' VAL . 24.1 Cg_endo -61.13 -14.65 34.82 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.013 2.475 . . . . 0.0 112.856 -174.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.588 HG11 ' SG ' ' A' ' 73' ' ' CYS . 61.7 t -85.11 -61.68 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.048 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.822 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 28.2 p -96.17 -16.7 21.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -170.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.87 60.34 4.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.686 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.491 ' OD1' ' HG2' ' A' ' 19' ' ' LYS . 1.8 t0 -159.78 -170.32 2.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.491 ' HG2' ' OD1' ' A' ' 18' ' ' ASP . 35.8 mmtm -57.47 163.29 2.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.046 0.45 . . . . 0.0 111.64 -176.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.3 m -127.93 155.55 39.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.746 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.5 m -92.33 -5.19 52.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.297 0.57 . . . . 0.0 109.905 176.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' LEU . . . 118.46 -156.94 15.44 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.444 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.437 ' O ' " H3'" ' B' ' 6' ' ' ' DA' . 6.1 m-85 -70.57 106.13 3.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.203 0.525 . . . . 0.0 111.004 178.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.609 ' HA ' ' OP2' ' B' ' 7' ' ' ' DG' . 82.0 t60 -136.45 112.86 9.95 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.147 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 71.46 20.67 4.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.644 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.65 -15.17 63.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.177 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.3 mt -114.59 161.24 18.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.725 0.298 . . . . 0.0 110.903 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 2.7 mm? -80.3 94.1 6.04 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 171.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.75 HG23 ' SD ' ' A' ' 78' ' ' MET . 44.5 p -126.16 160.25 30.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.838 0.352 . . . . 0.0 110.929 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.23 172.42 6.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.086 -174.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.716 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -65.03 -36.84 85.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.261 -178.314 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.459 ' OG ' " H2'" ' C' ' 20' ' ' ' DG' . 23.0 m -60.95 -42.53 98.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.111 0.481 . . . . 0.0 110.867 178.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.8 m -75.83 -42.67 49.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.222 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.716 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 58.6 pttt -62.04 -36.02 80.34 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.152 178.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' A' ' 39' ' ' ARG . . . -63.68 -55.18 26.51 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.495 177.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.453 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 72.3 t80 -59.56 -38.52 81.32 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 111.286 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -59.45 -52.29 66.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.521 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.707 ' HE2' " H2'" ' B' ' 8' ' ' ' DG' . 7.4 mtmp? -65.79 -38.39 88.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.74 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 86.8 mtt180 -55.89 -44.95 78.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -66.62 -51.24 58.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.9 -49.67 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.92 -176.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -70.9 -29.58 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -87.88 1.89 52.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.0 m120 59.55 39.52 21.48 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.61 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -91.37 150.27 21.35 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.666 -174.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -145.26 94.21 2.49 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.917 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -70.81 169.44 14.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.083 -174.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 p -119.41 171.27 8.45 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.943 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -121.32 -49.59 2.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.653 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 m 72.29 -43.85 0.57 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.899 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.93 -54.95 38.77 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 12.6 t -163.06 -27.9 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 52' ' ' SER . 72.9 mt-30 77.64 -47.59 0.48 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.586 0.754 . . . . 0.0 111.27 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.9 t -87.94 67.98 9.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.471 0.653 . . . . 0.0 109.359 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.8 m -93.15 155.55 17.4 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.581 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -83.38 83.76 7.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.84 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.636 HD11 ' HB2' ' A' ' 68' ' ' CYS . 51.0 mm -64.13 99.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.254 0.55 . . . . 0.0 110.863 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -125.73 -161.71 1.06 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.285 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 59' ' ' LYS . 39.4 ttmt -58.21 -34.69 70.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.953 0.158 . . . . 0.0 111.377 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.7 p -88.85 -50.01 6.46 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -78.28 -11.0 59.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -172.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.822 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 29.2 ptt180 -63.16 -25.26 68.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 111.371 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.88 ' HA ' H5'' ' C' ' 19' ' ' ' DT' . 14.8 ptmm? -96.78 -9.17 29.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.253 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -84.49 -33.55 23.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.826 0.346 . . . . 0.0 111.248 -175.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 72.3 m -132.75 101.56 14.09 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.128 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.42 -40.47 57.38 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.571 2.181 . . . . 0.0 111.497 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -59.56 -51.21 70.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.574 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.636 ' HB2' HD11 ' A' ' 57' ' ' ILE . 57.4 m -65.41 -35.19 80.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.939 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.981 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 73.6 ttt180 -68.74 -38.12 79.92 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.977 0.417 . . . . 0.0 110.437 177.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.507 ' O ' HD12 ' A' ' 74' ' ' LEU . 64.6 t80 -63.45 -53.49 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.875 176.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.95 -27.28 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.552 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.465 ' HD3' ' HB ' ' A' ' 57' ' ' ILE . 21.1 tptm -63.49 -43.87 96.02 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.158 176.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.588 ' SG ' HG11 ' A' ' 15' ' ' VAL . 61.2 m -59.16 -48.53 81.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.479 0.656 . . . . 0.0 109.784 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 70' ' ' PHE . 9.1 mp -62.03 -40.31 95.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.879 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -54.58 -49.34 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.967 0.413 . . . . 0.0 110.821 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.607 HG13 ' HB2' ' A' ' 14' ' ' PRO . 35.5 m -78.55 -6.05 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.04 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.58 41.55 4.73 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.411 -0.899 . . . . 0.0 113.906 170.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.75 ' SD ' HG23 ' A' ' 29' ' ' THR . 26.1 mmm -67.27 137.3 56.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.893 0.378 . . . . 0.0 110.161 170.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -73.99 115.17 13.14 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.796 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.493 HD21 ' HG ' ' A' ' 74' ' ' LEU . 4.5 mm? -72.64 -30.49 64.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.46 176.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.534 ' HG2' ' HZ ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -82.84 -12.82 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.899 -177.57 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.42 -19.8 52.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.163 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.442 HG12 ' HG2' ' A' ' 38' ' ' LYS . 47.7 t -57.13 109.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.352 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.499 ' HB2' H5'' ' B' ' 8' ' ' ' DG' . 5.4 mmp_? -78.21 77.83 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.196 0.522 . . . . 0.0 110.864 -178.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.51 -3.01 38.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.014 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -79.6 1.74 24.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.336 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.812 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 6.2 tpp180 66.64 17.66 10.64 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.957 0.884 . . . . 0.0 110.12 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 90.4 mtp -98.48 117.78 33.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.776 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.674 ' HG3' " O4'" ' B' ' 8' ' ' ' DG' . 9.6 mpt_? -79.87 59.77 3.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.64 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.17 -119.23 0.78 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.311 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 1.031 ' H ' " H4'" ' C' ' 27' ' ' ' DA' . . . 86.1 26.42 34.14 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.516 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.706 ' HB3' " H4'" ' C' ' 28' ' ' ' DG' . 61.8 ttp180 -77.37 86.52 3.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.855 -177.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.479 ' HB3' ' OP1' ' C' ' 28' ' ' ' DG' . 9.5 p30 -157.1 -38.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.819 176.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -59.25 -44.48 92.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.352 0.596 . . . . 0.0 110.394 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.534 ' HZ ' ' HG2' ' A' ' 81' ' ' GLU . 46.3 m-85 -101.21 11.78 38.74 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.327 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.5 ' O ' ' HG2' ' A' ' 100' ' ' LYS . . . -55.94 -51.47 55.22 Favored Glycine 0 CA--C 1.524 0.623 0 CA-C-N 115.478 -0.783 . . . . 0.0 113.396 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.71 -51.05 11.3 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.653 2.235 . . . . 0.0 112.733 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 25.3 ptm -70.87 -30.43 66.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.007 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -56.36 22.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 111.066 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 96' ' ' GLY . 7.0 ptpp? -68.34 -39.14 81.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -178.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 101' ' ' ARG . 11.8 ttm180 -65.71 -56.41 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.414 -176.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -33.82 74.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -176.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 103' ' ' ARG . 11.7 ttm180 -65.77 -41.64 91.82 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.567 -0.453 . . . . 0.0 109.842 176.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.02 -34.49 77.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 80.4 mt -70.07 -37.04 75.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.034 177.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -74.42 -37.27 63.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.487 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -94.72 11.17 32.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.917 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -62.74 -72.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.764 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -174.34 117.76 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.591 ' HB2' ' HZ3' ' A' ' 110' ' ' LYS . 4.8 ttmp? -80.35 82.93 6.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.774 179.744 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.418 " H1'" " H5'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.599 0 O5'-C5'-C4' 111.478 0.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.655 H2'' ' C6 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 P-O3'-C3' 120.292 0.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.655 ' C6 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-C1' 101.236 -1.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.581 ' C7 ' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-N19 108.675 1.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 0.84 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 106.953 0.776 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.84 ' C8 ' H2'' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.357 0.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.649 H2'' ' OP2' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 104.611 1.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.707 " H2'" ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 P-O3'-C3' 121.244 1.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.812 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-C2' 104.545 -1.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.503 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 104.335 1.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.723 " H1'" " H5'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 O4'-C1'-C2' 107.535 1.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.723 " H5'" " H1'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 P-O3'-C3' 120.56 0.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.587 H2'' ' C8 ' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C4'-C3' 106.144 0.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.834 " H1'" " H5'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-N19 108.424 0.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.834 " H5'" " H1'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C3'-C2'-C1' 105.05 1.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.678 " H1'" " H5'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.667 0 C4'-C3'-C2' 104.1 0.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.678 " H5'" " H1'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C1'-C2' 107.004 0.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.703 H2'' ' OP2' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C4'-C3' 106.363 0.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.981 " H3'" HH12 ' A' ' 69' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C4'-C3'-C2' 104.418 1.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 1.02 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C4'-C3' 106.325 0.725 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 1.034 " H1'" " H5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 P-O3'-C3' 120.365 0.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 1.034 " H5'" " H1'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-C2' 107.401 1.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.628 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C4'-C3'-C2' 104.164 0.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.876 " H1'" " H5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-N19 108.67 1.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.974 H2'' ' C8 ' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C4'-C3' 106.308 0.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 0.974 ' C8 ' H2'' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O4'-C1'-N19 108.909 1.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 1.031 " H4'" ' H ' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.576 1.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.914 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 102.461 -0.739 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.617 ' C6 ' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-N19 109.134 1.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.511 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-N19 108.219 0.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -73.23 155.84 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.771 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.9 mt -112.94 143.86 43.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.028 0.442 . . . . 0.0 110.772 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 t -69.06 110.66 6.51 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 174.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.9 11.87 0.29 Allowed 'Trans proline' 0 N--CA 1.476 0.481 0 C-N-CA 123.428 2.752 . . . . 0.0 114.422 -168.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.492 HG23 ' HB3' ' A' ' 72' ' ' LYS . 2.9 p -112.28 -62.62 2.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.024 0.44 . . . . 0.0 111.133 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.1 p -91.79 -20.4 21.55 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.444 -174.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.06 26.07 35.39 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.143 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -96.23 161.65 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -72.01 139.51 48.59 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.3 m -73.63 151.84 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.093 0.473 . . . . 0.0 111.831 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.5 t -108.95 -14.28 14.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.16 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.39 -177.77 33.22 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.546 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.719 ' HH ' ' HD2' ' A' ' 106' ' ' LYS . 84.5 m-85 -78.78 120.11 22.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.718 0.295 . . . . 0.0 110.941 -178.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.5 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 61.4 m-70 -136.75 118.49 15.06 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.425 ' CE1' HG11 ' A' ' 83' ' ' VAL . 42.4 m-85 67.24 28.93 7.9 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.171 176.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.02 -23.69 35.0 Favored Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.665 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mt -112.29 147.94 35.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.905 0.383 . . . . 0.0 111.643 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.408 HD12 ' HE3' ' A' ' 106' ' ' LYS . 5.4 mp -74.33 114.54 12.82 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 171.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.5 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 20.7 p -136.12 167.34 21.44 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.743 -174.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 p -92.19 157.5 16.67 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.887 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -58.86 -28.2 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.195 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.63 ' OG ' " H3'" ' C' ' 20' ' ' ' DG' . 0.9 OUTLIER -51.74 -54.28 30.21 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.117 175.209 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.5 m -78.9 -32.37 45.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.039 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 31.7 ttpt -54.99 -51.2 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.048 0.452 . . . . 0.0 110.095 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.48 -47.53 83.1 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.418 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.01 -42.57 94.58 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.678 0.275 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.606 ' O ' HG21 ' A' ' 41' ' ' VAL . 12.1 t80 -61.04 -49.35 77.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.001 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 7.6 mtmp? -58.1 -46.45 85.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 O-C-N 123.231 0.332 . . . . 0.0 110.937 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -54.01 -43.4 70.03 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.993 0.425 . . . . 0.0 110.564 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.4 m -70.34 -57.13 5.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.705 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.743 HG22 HG12 ' A' ' 83' ' ' VAL . 17.3 m -68.69 -43.15 83.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -172.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.14 -39.84 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.653 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 46.0 m-80 -93.92 -3.35 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.328 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 59.3 38.3 23.21 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.699 0.761 . . . . 0.0 109.957 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.653 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 28.6 mtpp -68.41 125.87 27.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.602 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -107.92 111.07 22.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.114 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.589 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 71.8 m-85 -85.82 172.09 11.04 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.7 m -141.55 122.76 14.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.278 0.561 . . . . 0.0 111.382 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.43 -44.31 2.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.625 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 p 53.86 173.51 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.116 0.967 . . . . 0.0 112.911 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 65.7 -59.57 0.29 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.689 0.796 . . . . 0.0 111.524 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 m -139.27 92.4 2.58 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -67.83 -14.47 62.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.053 0.454 . . . . 0.0 110.526 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -110.64 83.96 1.85 Allowed 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.365 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 82.8 m -94.35 165.64 12.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.123 175.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.625 ' HZ2' ' HB2' ' A' ' 56' ' ' LYS . 9.7 mtmp? -73.9 101.09 3.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.723 -178.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' A' ' 68' ' ' CYS . 47.0 mm -76.02 113.35 14.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.576 0.703 . . . . 0.0 110.094 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 26.0 t70 -140.53 -176.94 4.82 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -176.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.525 ' HA ' ' HD2' ' A' ' 62' ' ' ARG . 37.3 mtpt -74.69 -16.03 60.77 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.617 0.722 . . . . 0.0 109.362 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.4 p -79.9 -49.97 11.15 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.436 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.438 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 44.3 mt-30 -96.95 18.53 14.48 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -175.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.525 ' HD2' ' HA ' ' A' ' 59' ' ' LYS . 11.1 ptm85 -64.4 -39.47 93.92 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.601 0.239 . . . . 0.0 111.6 -177.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.703 ' HZ1' " H4'" ' B' ' 15' ' ' ' DG' . 95.1 mttt -95.61 -18.49 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 175.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.438 ' HB2' ' HA ' ' A' ' 61' ' ' GLN . 76.3 mtp180 -71.21 -36.79 72.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.295 -174.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.447 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 83.2 m -126.81 84.32 63.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 120.797 0.332 . . . . 0.0 111.035 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.05 -38.41 28.46 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.581 2.187 . . . . 0.0 111.383 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.589 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 74.4 t80 -65.25 -47.67 75.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.391 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.533 ' HB2' HD13 ' A' ' 57' ' ' ILE . 43.3 m -64.26 -35.54 81.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.07 -46.24 90.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.933 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -61.73 -45.16 95.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.271 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -56.54 -37.83 71.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.265 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.936 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 14.0 ttmt -75.56 -27.62 58.69 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.268 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 84.1 m -57.07 -45.55 83.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 173.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.666 ' HG ' HD23 ' A' ' 80' ' ' LEU . 7.2 mp -72.63 -32.66 66.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 174.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.936 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 2.9 m -54.65 -47.95 72.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.694 175.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.6 m -80.03 -30.39 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.377 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.47 34.98 0.68 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.321 -0.943 . . . . 0.0 114.086 171.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 87.5 mtp -78.74 121.65 25.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.327 0.563 . . . . 0.0 109.537 175.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -68.37 125.4 26.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.39 -172.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.666 HD23 ' HG ' ' A' ' 74' ' ' LEU . 3.4 mm? -75.36 -46.41 33.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.282 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -77.33 3.03 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.489 -176.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.39 -29.44 33.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.725 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.743 HG12 HG22 ' A' ' 41' ' ' VAL . 19.2 m -71.94 144.11 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-O 121.177 0.513 . . . . 0.0 110.879 -178.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.407 ' CZ ' ' HA3' ' A' ' 91' ' ' GLY . 56.9 mtt180 -115.21 89.36 3.08 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.297 175.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.68 -16.31 25.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.252 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.24 -1.13 11.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.571 175.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.808 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 1.4 tmm_? 66.44 85.47 0.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.833 175.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.677 ' O ' H5'' ' B' ' 8' ' ' ' DG' . 57.5 tpp -142.57 121.43 12.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.231 176.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.592 ' HD3' ' H22' ' B' ' 7' ' ' ' DG' . 97.5 mtt180 -80.92 60.0 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.237 0.541 . . . . 0.0 111.31 -175.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.72 -127.95 2.01 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 1.026 ' HA2' " H4'" ' C' ' 27' ' ' ' DA' . . . 73.9 48.51 16.1 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.282 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.577 ' O ' H5'' ' C' ' 28' ' ' ' DG' . 66.3 mtm180 -85.81 87.49 7.41 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -177.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -120.08 -62.42 1.48 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.334 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.827 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.13 -42.05 98.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.105 -175.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.624 ' O ' ' HG2' ' A' ' 98' ' ' MET . 67.0 m-85 -120.33 19.09 12.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.54 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.58 -60.36 7.52 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.432 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.74 -32.12 82.91 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 123.211 2.607 . . . . 0.0 114.17 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.624 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 25.5 ptm -64.21 -29.01 70.14 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.59 0.233 . . . . 0.0 111.24 -174.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.782 ' CG ' H5'' ' B' ' 6' ' ' ' DA' . 55.9 m-85 -60.89 -54.79 40.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.166 0.508 . . . . 0.0 111.122 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.699 ' HZ2' " C4'" ' C' ' 29' ' ' ' DC' . 92.4 mttt -71.88 -20.76 61.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.637 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 35.2 ttp180 -61.87 -55.48 29.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -34.57 72.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.811 178.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 3.6 mmp_? -54.51 -50.98 66.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.749 174.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.89 61.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.815 -177.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 98.3 mt -76.71 -46.37 25.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.029 0.442 . . . . 0.0 111.186 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.719 ' HD2' ' HH ' ' A' ' 23' ' ' TYR . 67.9 mttm -78.89 -14.89 58.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.054 -174.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -82.16 -22.24 36.16 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -70.04 113.0 6.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.573 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm 67.08 -0.28 1.78 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.918 -174.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 66.3 mttm 57.88 34.07 23.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.697 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.542 -179.147 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.568 0 O5'-C5'-C4' 111.5 0.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.592 H2'' ' C5 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-N19 108.575 0.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.592 ' C5 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 P-O3'-C3' 120.351 0.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.609 H2'' ' OP2' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-C2' 107.011 0.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 0.609 ' OP2' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 P-O3'-C3' 121.27 1.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.782 H5'' ' CG ' ' A' ' 99' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C4'-C3'-C2' 104.499 1.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.592 ' H22' ' HD3' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 P-O3'-C3' 121.973 1.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.677 H5'' ' O ' ' A' ' 88' ' ' MET . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C4'-C3' 106.495 0.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.808 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-N19 108.488 0.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.793 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C4'-C3'-C2' 104.878 1.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.793 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C4'-C3'-C2' 105.357 2.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.564 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 104.514 -1.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-N19 108.443 0.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.716 " H1'" " H5'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 107.267 1.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.716 " H5'" " H1'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 O4'-C1'-C2' 107.562 1.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.867 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 O5'-C5'-C4' 111.427 0.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.867 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 P-O3'-C3' 121.989 1.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 1.029 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-N19 109.215 1.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 1.029 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 105.388 1.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.691 H2'' ' C8 ' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C4'-C3'-C2' 104.728 1.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.691 ' C8 ' H2'' ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 P-O3'-C3' 120.802 0.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.576 ' H6 ' " O5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 107.278 1.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.458 H2'' ' C6 ' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C4'-C3'-C2' 104.697 1.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.57 H2'' ' OP2' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-N19 108.384 0.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.57 ' OP2' H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 P-O3'-C3' 120.819 0.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 0.58 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C4'-C3'-C2' 104.656 1.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 1.026 " H4'" ' HA2' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-C2' 106.96 0.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.816 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C4'-C3'-C2' 102.392 -0.808 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.699 " C4'" ' HZ2' ' A' ' 100' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O4'-C1'-N19 108.424 0.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.458 ' C5 ' ' C2 ' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C3'-C2'-C1' 101.124 -1.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 N--CA 1.463 0.204 0 CA-C-O 120.999 0.428 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.598 ' HG2' HD22 ' A' ' 28' ' ' LEU . 32.3 mp0 -92.19 145.17 24.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.184 0.516 . . . . 0.0 110.582 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -136.74 155.42 49.87 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.41 110.46 5.3 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.19 12.65 0.98 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.996 2.464 . . . . 0.0 112.823 -173.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.5 t -104.09 -57.51 4.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.48 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.417 ' HA ' HG23 ' A' ' 57' ' ' ILE . 14.2 p -111.07 -12.9 14.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -173.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.41 27.79 35.09 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.735 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -97.21 170.24 9.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.561 -0.376 . . . . 0.0 110.158 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.504 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 37.9 mtmm -72.37 150.32 43.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.688 0.28 . . . . 0.0 110.268 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.2 m -78.03 148.19 6.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.117 0.484 . . . . 0.0 111.345 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -106.99 7.17 29.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.284 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.16 -178.24 17.02 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.968 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' HB3' ' HH ' ' A' ' 99' ' ' TYR . 12.7 m-85 -59.96 118.56 6.41 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 176.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.75 ' HA ' ' OP2' ' B' ' 7' ' ' ' DG' . 7.9 m-70 -134.48 112.45 10.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.504 0.192 . . . . 0.0 110.974 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 74.35 -54.0 0.68 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.638 0.775 . . . . 0.0 112.03 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.9 -39.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.31 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.963 HD22 HG12 ' A' ' 76' ' ' VAL . 5.9 mp -118.45 174.8 6.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.598 HD22 ' HG2' ' A' ' 11' ' ' GLU . 6.1 mp -81.62 105.6 12.9 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 171.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.557 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 60.8 p -121.21 171.21 8.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.153 -176.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 11.5 p -94.55 156.47 16.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.622 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 55.1 mm-40 -57.32 -26.86 61.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.728 174.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 m -59.28 -47.69 84.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.755 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 89.0 m -82.53 -35.2 27.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 33.4 tttm -56.66 -46.02 81.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.968 0.413 . . . . 0.0 110.739 173.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.13 72.45 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.122 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -57.37 -43.78 83.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.942 0.401 . . . . 0.0 110.992 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.587 ' O ' HG21 ' A' ' 41' ' ' VAL . 51.5 t80 -59.15 -51.53 69.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.134 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.794 ' HE2' ' C8 ' ' B' ' 9' ' ' ' DG' . 16.2 mtpp -59.15 -44.12 92.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.831 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -54.84 -43.07 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 110.588 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.8 m -69.92 -55.45 9.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.601 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.786 HG22 HG22 ' A' ' 83' ' ' VAL . 13.8 m -63.08 -43.16 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 10.4 mm-40 -70.24 -24.7 63.12 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -174.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.63 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 56.6 m-80 -107.16 2.5 24.85 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.817 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' N ' HD21 ' A' ' 44' ' ' ASN . 0.9 OUTLIER 59.84 40.1 19.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.334 0.588 . . . . 0.0 109.625 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.63 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 27.7 mtpp -76.47 110.1 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.29 -173.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -103.72 110.83 23.07 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.712 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 60.1 m-85 -88.56 -175.0 4.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.737 -175.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -142.74 159.16 42.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.291 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.664 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 42.3 t -145.86 152.83 40.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.1 p -89.87 178.59 6.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.53 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 64.35 -87.12 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.76 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.5 p -145.79 5.63 1.03 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.35 -176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.664 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 23.3 mt-30 68.38 3.76 3.91 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.319 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -91.24 70.25 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.422 0.63 . . . . 0.0 110.586 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 38.7 m -108.24 163.84 12.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.148 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.563 ' N ' ' HD3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -107.91 143.32 36.71 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.686 HG13 ' HA ' ' A' ' 69' ' ' ARG . 43.8 mm -101.81 121.1 52.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.195 0.521 . . . . 0.0 110.473 -177.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.473 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 17.9 t70 -135.5 -177.03 4.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.936 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -54.12 -43.75 70.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.356 0.598 . . . . 0.0 110.848 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 t -86.42 -24.96 25.5 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.336 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.473 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 45.5 mt-30 -95.48 4.3 53.38 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.157 -0.34 . . . . 0.0 111.895 -174.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -72.67 -28.6 62.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.418 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.538 ' HE2' " H4'" ' C' ' 19' ' ' ' DT' . 91.5 mttt -95.6 -8.21 35.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.646 0.26 . . . . 0.0 111.449 176.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.519 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 72.2 mtp180 -79.16 -63.4 1.43 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -174.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.447 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 80.6 m -108.9 94.64 15.02 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.78 0.324 . . . . 0.0 110.856 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.519 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 18.9 Cg_exo -66.66 -35.08 30.03 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.595 2.197 . . . . 0.0 111.501 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.712 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 61.9 t80 -68.57 -46.09 70.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.457 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.447 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 53.8 m -62.57 -38.54 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.154 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.686 ' HA ' HG13 ' A' ' 57' ' ' ILE . 66.7 ttt180 -68.44 -41.25 80.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.709 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.34 -47.59 85.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.184 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -63.39 -36.75 84.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.527 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -40.85 96.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.438 177.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 71.0 m -61.65 -48.46 80.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.037 0.446 . . . . 0.0 110.235 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.566 ' HA ' ' O ' ' A' ' 78' ' ' MET . 71.9 mt -64.4 -48.61 74.75 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.737 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.0 m -50.53 -44.13 56.25 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.731 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.963 HG12 HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -65.41 -26.96 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.038 -176.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.471 ' HA3' HD11 ' A' ' 27' ' ' LEU . . . 134.79 -0.9 3.81 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.584 -1.294 . . . . 0.0 113.41 177.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.566 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 88.2 mtp -77.29 120.87 22.92 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.554 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 22.7 mmt180 -94.4 149.74 20.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.842 0.353 . . . . 0.0 111.125 -173.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.62 -36.77 76.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.397 0.618 . . . . 0.0 110.294 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -82.81 5.24 22.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.19 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.554 ' HB2' ' HB2' ' A' ' 79' ' ' ARG . . . -88.86 -20.04 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.786 HG22 HG22 ' A' ' 41' ' ' VAL . 2.4 p -93.77 118.97 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.132 0.492 . . . . 0.0 110.836 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.93 ' HB3' H5'' ' B' ' 8' ' ' ' DG' . 28.1 tpt180 -70.59 105.11 3.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.946 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.36 -26.16 35.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.591 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.501 ' HB3' ' NE ' ' A' ' 84' ' ' ARG . 5.2 t70 -51.67 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.599 177.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.922 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 10.5 tpt180 171.89 -37.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.634 0.374 . . . . 0.0 110.24 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.509 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 85.5 mmm -52.86 120.02 5.29 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.955 -177.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.79 ' HD3' ' H22' ' B' ' 7' ' ' ' DG' . 66.7 mtt180 -79.95 59.71 3.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.015 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.808 ' HA2' " C5'" ' C' ' 27' ' ' ' DA' . . . -79.56 113.39 3.65 Favored Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.886 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.667 ' HA2' " C5'" ' B' ' 7' ' ' ' DG' . . . -50.44 -49.28 39.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.351 -0.452 . . . . 0.0 112.139 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.639 ' HD2' ' O ' ' A' ' 91' ' ' GLY . 19.8 mmm180 -123.38 129.56 51.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -104.32 -70.79 0.76 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.414 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -113.43 -40.77 3.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.125 0.488 . . . . 0.0 110.393 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.44 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 81.5 m-85 -84.62 54.39 3.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.791 -173.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.462 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -76.78 -59.79 3.12 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.872 177.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.462 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 9.3 Cg_endo -52.53 -52.68 8.35 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.169 2.579 . . . . 0.0 113.548 -177.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.8 ptm -60.54 -29.92 69.43 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.851 0.358 . . . . 0.0 111.102 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.536 ' HE2' " C5'" ' B' ' 6' ' ' ' DA' . 1.1 t80 -71.07 -48.84 50.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.545 0.688 . . . . 0.0 109.611 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -62.81 -41.95 99.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.656 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -63.68 -45.52 89.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.277 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.77 -46.97 87.28 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.236 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.607 HH12 " H4'" ' B' ' 5' ' ' ' DC' . 51.6 ttp180 -67.54 -39.26 85.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.826 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 108' ' ' GLN . . . -58.39 -49.5 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.772 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.9 mt -66.61 -36.57 82.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.11 0.481 . . . . 0.0 110.544 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -63.03 -52.45 62.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.783 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -72.33 -22.02 61.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.796 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 104' ' ' ALA . 48.3 tt0 -72.84 87.49 1.3 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.695 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 110' ' ' LYS . 48.4 mmtm -134.56 100.81 4.75 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 109' ' ' LYS . 77.3 tttt 68.6 128.6 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.777 0.673 . . . . 0.0 110.868 -176.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.547 -0.739 . . . . 0.0 110.136 179.457 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.653 0 O5'-C5'-C4' 111.59 0.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.487 " H1'" " H5'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 C2'-C3'-O3' 111.591 0.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.616 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 P-O3'-C3' 120.761 0.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.616 ' H71' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C4'-C3' 106.41 0.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 0.607 " H4'" HH12 ' A' ' 103' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 P-O3'-C3' 120.908 1.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.999 " H1'" " H5'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-N19 108.929 1.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.999 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 107.506 1.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.93 H5'' ' HB3' ' A' ' 84' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 106.955 0.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.922 H5'' ' HD2' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 101.12 -1.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.6 ' C5 ' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 O4'-C1'-C2' 107.086 0.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.659 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C4'-C3'-C2' 104.927 1.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.659 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 P-O3'-C3' 121.644 1.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.416 ' C2 ' ' C2 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 P-O3'-C3' 120.464 0.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.545 H2'' ' C8 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C4'-C3' 106.245 0.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.545 ' C8 ' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-N19 108.31 0.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.536 0 O5'-C5'-C4' 111.534 0.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.892 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C4'-C3'-C2' 104.593 1.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.892 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.551 0.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.675 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-C2' 107.485 1.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.466 ' C2 ' ' C2 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 104.481 -1.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.628 " H1'" " H5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 P-O3'-C3' 120.55 0.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.813 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 P-O3'-C3' 121.258 1.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.877 H2'' ' C5 ' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 C4'-C3'-C2' 104.51 1.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.877 ' C5 ' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C3'-C2'-C1' 101.749 -0.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.409 ' H72' " C2'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 P-O3'-C3' 120.415 0.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 0.613 " H1'" " H5'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C4'-C3' 106.463 0.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.808 " C5'" ' HA2' ' A' ' 90' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.538 1.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.615 H2'' ' C6 ' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-N19 108.989 1.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.745 H2'' ' C6 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-N19 108.635 1.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.745 ' C6 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C4'-C3' 106.059 0.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.96 157.66 31.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.771 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.6 mt -98.45 144.42 27.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.195 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.1 m -65.42 127.36 92.88 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.095 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.55 -3.59 12.18 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.355 2.036 . . . . 0.0 111.947 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.8 t -93.79 -65.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.746 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.49 ' HG ' ' CG ' ' A' ' 18' ' ' ASP . 7.5 p -94.92 -28.64 15.08 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -173.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.64 18.25 33.28 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.67 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.49 ' CG ' ' HG ' ' A' ' 16' ' ' CYS . 2.4 p30 -119.3 166.25 13.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.295 0.548 . . . . 0.0 110.528 176.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.704 ' HZ3' ' HB3' ' A' ' 19' ' ' LYS . 10.2 mtpm? -51.61 129.56 26.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.305 0.574 . . . . 0.0 112.414 -175.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -69.14 152.81 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.818 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.1 m -98.15 5.57 48.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.401 0.62 . . . . 0.0 109.784 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.68 -172.15 15.72 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.88 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.556 ' HB3' ' OH ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -71.9 128.55 36.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 177.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.667 ' HA ' ' OP2' ' B' ' 7' ' ' ' DG' . 24.0 m-70 -136.72 -104.38 0.2 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.695 0.283 . . . . 0.0 111.261 176.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -83.72 81.93 8.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.855 0.36 . . . . 0.0 111.109 -174.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.55 -18.17 30.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.386 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -164.81 -171.08 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.022 0.411 . . . . 0.0 110.564 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 HD13 ' HE2' ' A' ' 106' ' ' LYS . 5.7 mp -76.78 119.55 20.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.183 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.47 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 2.0 p -144.89 154.35 42.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.938 -178.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.0 p -88.83 173.47 8.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.851 0.358 . . . . 0.0 110.29 177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.438 ' HB3' ' H42' ' C' ' 22' ' ' ' DC' . 13.2 mm-40 -61.47 -29.78 70.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.215 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.653 ' HB2' " H2'" ' C' ' 20' ' ' ' DG' . 9.4 t -66.2 -38.79 88.85 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.677 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.6 m -60.95 -58.72 7.26 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.628 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -71.33 -21.57 62.03 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.132 -178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.18 -58.42 11.76 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.811 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -68.42 -41.03 80.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.653 0.264 . . . . 0.0 111.001 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -56.12 -52.47 64.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.232 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.632 ' HA ' HG21 ' A' ' 41' ' ' VAL . 51.2 pttt -73.88 -34.42 64.45 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.917 -176.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -53.01 -44.2 67.12 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.252 0.549 . . . . 0.0 110.431 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.1 m -67.42 -53.98 24.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.441 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.632 HG21 ' HA ' ' A' ' 38' ' ' LYS . 15.9 m -64.34 -43.44 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.502 ' OE1' ' HA ' ' A' ' 85' ' ' ALA . 17.5 mm-40 -63.45 -23.78 67.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.345 . . . . 0.0 111.723 -176.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -106.54 7.61 30.91 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.63 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.4 31.53 21.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.426 176.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -81.98 136.15 35.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.796 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -127.04 122.76 35.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.828 174.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -98.15 158.42 15.56 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.145 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.9 m -126.21 123.57 38.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.526 ' SG ' ' HG3' ' A' ' 53' ' ' GLN . 18.2 t -115.36 4.14 14.32 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 175.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 44.9 m 72.64 109.02 0.07 Allowed 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.702 -178.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 50' ' ' THR . 10.2 mm-40 68.59 -170.21 0.18 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.266 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 17.6 m -73.99 -32.59 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.43 -177.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.619 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 14.6 mm100 73.15 -53.15 0.7 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 172.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 m 61.67 29.59 18.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.344 0.403 . . . . 0.0 110.701 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.619 ' SG ' ' HB3' ' A' ' 53' ' ' GLN . 60.3 m -57.78 139.67 53.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.542 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.94 107.18 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.149 0.499 . . . . 0.0 111.032 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.1 mm -77.37 116.6 21.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.745 178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.462 ' CG ' ' H ' ' A' ' 59' ' ' LYS . 15.4 t70 -143.62 -163.4 1.65 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.616 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 33.5 mtmm -70.3 -23.65 62.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.166 0.508 . . . . 0.0 110.177 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.6 p -81.48 -50.54 9.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.509 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -102.36 8.79 40.16 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -170.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.616 ' NE ' ' HA ' ' A' ' 59' ' ' LYS . 11.1 ptp180 -53.67 -42.67 68.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.519 ' CB ' H5'' ' C' ' 19' ' ' ' DT' . 0.0 OUTLIER -96.63 -7.68 33.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.669 0.271 . . . . 0.0 111.48 -176.187 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -74.93 -43.13 55.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.431 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.557 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 68.3 m -119.69 91.49 44.98 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.011 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.39 -41.7 55.76 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.614 2.21 . . . . 0.0 111.722 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -47.0 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.557 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 40.5 m -67.43 -37.69 83.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.556 -178.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.534 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 77.2 ttt180 -66.77 -37.3 84.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.322 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.37 -56.73 18.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.113 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.66 -35.49 72.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -58.24 -43.41 87.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.573 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 66.2 m -60.38 -51.11 70.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.233 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.609 ' HA ' ' O ' ' A' ' 78' ' ' MET . 7.6 mp -61.55 -30.15 70.47 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.637 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.0 m -65.12 -49.42 70.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.782 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.32 -18.29 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -171.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.84 -12.21 2.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.054 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.609 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 77.5 mtp -69.34 113.08 6.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -107.71 164.75 11.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.162 0.506 . . . . 0.0 111.832 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.63 -21.99 54.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.99 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.52 -17.65 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.138 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.73 2.02 53.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.666 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.54 HG11 HG22 ' A' ' 41' ' ' VAL . 41.6 t -101.03 111.82 31.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 -80.32 89.27 5.53 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.514 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.502 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . . . -56.54 -21.76 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.457 171.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.02 -25.85 23.36 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.196 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 65.92 89.3 0.1 Allowed 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.554 0.742 . . . . 0.0 110.726 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.75 ' HB2' " H5'" ' B' ' 8' ' ' ' DG' . 75.8 mmm -98.45 -175.98 3.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.009 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.649 ' HB3' " H4'" ' C' ' 25' ' ' ' DT' . 0.2 OUTLIER -115.55 17.36 16.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.347 173.638 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.12 -160.95 28.13 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.478 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.572 ' CA ' " H1'" ' C' ' 26' ' ' ' DG' . . . 94.93 133.94 7.42 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.992 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.525 ' HE ' " H4'" ' B' ' 6' ' ' ' DA' . 80.2 mtp180 -66.72 150.57 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.477 ' HB2' H5'' ' B' ' 7' ' ' ' DG' . 60.3 t30 -65.41 152.72 43.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.264 -175.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.26 -21.8 66.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.722 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.445 ' HB3' ' SD ' ' A' ' 98' ' ' MET . 11.3 m-30 -79.58 38.77 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.815 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.54 -53.93 22.94 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.587 -0.563 . . . . 0.0 113.975 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.24 -54.96 4.33 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.786 2.324 . . . . 0.0 113.589 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.445 ' SD ' ' HB3' ' A' ' 95' ' ' PHE . 4.8 ppp? -69.7 -29.46 66.87 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.813 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.65 ' HE2' H5'' ' B' ' 6' ' ' ' DA' . 67.3 t80 -67.62 -44.23 78.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.129 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -63.95 -44.61 92.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.72 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.622 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 96.8 mtt180 -65.74 -45.72 81.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.89 -44.98 91.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 0.0 110.104 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -62.87 -37.56 87.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.605 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.789 ' HB2' ' HE3' ' A' ' 109' ' ' LYS . . . -69.43 -38.15 77.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.854 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 70.0 mt -73.76 -28.6 61.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.168 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.44 ' HE2' HD13 ' A' ' 28' ' ' LEU . 6.2 tmtm? -67.0 -43.5 82.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.98 173.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' ' 108' ' ' GLN . 26.7 tt0 -74.61 -30.85 61.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.619 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 107' ' ' GLN . 10.3 mm100 67.62 102.22 0.05 OUTLIER 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.95 0.781 . . . . 0.0 111.023 -177.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.789 ' HE3' ' HB2' ' A' ' 104' ' ' ALA . 98.4 mttt -72.39 -32.55 66.5 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.375 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -121.08 147.55 45.39 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.783 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.557 -0.735 . . . . 0.0 109.765 177.673 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.495 H2'' ' C8 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.552 0 O5'-C5'-C4' 111.69 1.064 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.495 ' C8 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-N19 109.27 1.837 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.677 " H2'" ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 107.055 0.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.677 ' H71' " H2'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C4'-C3'-C2' 104.722 1.522 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 P-O3'-C3' 120.869 0.974 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.65 H5'' ' HE2' ' A' ' 99' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-N19 108.71 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.667 ' OP2' ' HA ' ' A' ' 24' ' ' HIS . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C4'-C3'-C2' 104.429 1.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.861 H2'' ' OP2' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 109.093 1.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.861 ' OP2' H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 P-O3'-C3' 122.262 2.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.529 " O5'" H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 104.601 -1.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.604 ' H6 ' " O5'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 O4'-C1'-C2' 107.528 1.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.503 ' H8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C4'-C3'-C2' 104.201 1.001 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.488 H2'' ' C8 ' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C1'-N19 108.484 0.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.888 " H1'" " H5'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-N19 108.433 0.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.888 " H5'" " H1'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 P-O3'-C3' 121.269 1.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.838 " H1'" " H5'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.568 0 O5'-C5'-C4' 111.991 1.279 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.838 " H5'" " H1'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 107.102 0.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.548 H2'' ' OP2' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-N19 108.856 1.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.548 ' OP2' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-N19 108.567 0.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 1.056 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C4'-C3'-C2' 104.482 1.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 1.056 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 P-O3'-C3' 121.722 1.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 1.032 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 107.023 0.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 1.032 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 P-O3'-C3' 120.872 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.592 ' C6 ' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-N19 108.187 0.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.649 " H4'" ' HB3' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C4'-C3'-C2' 104.61 1.41 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 0.572 " H1'" ' CA ' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 104.361 -1.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.538 ' C8 ' H2'' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C3'-C2'-C1' 101.976 -0.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.531 " H1'" " H5'" ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C3'-C2'-C1' 102.025 -0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.599 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C4'-C3'-C2' 102.705 -0.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.599 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 107.269 1.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 121.438 0.637 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -94.8 161.62 14.1 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.107 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -117.03 150.38 38.72 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.4 m -60.41 128.98 88.75 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.24 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HB2' HG23 ' A' ' 76' ' ' VAL . 73.7 Cg_endo -71.7 12.3 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 123.371 2.714 . . . . 0.0 113.096 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.419 HG21 ' HD3' ' A' ' 72' ' ' LYS . 2.4 p -131.93 -69.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.583 176.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.47 ' HG ' ' HB2' ' A' ' 18' ' ' ASP . 29.9 p -77.91 -18.41 56.15 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -176.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.26 9.74 86.22 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.826 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.47 ' HB2' ' HG ' ' A' ' 16' ' ' CYS . 10.4 m-20 -78.31 158.74 28.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.676 0.274 . . . . 0.0 111.033 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -63.24 134.08 55.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.925 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.96 143.0 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.24 0.543 . . . . 0.0 111.551 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 t -105.34 25.63 10.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.86 175.51 19.92 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.305 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.444 ' CD2' ' HD3' ' A' ' 103' ' ' ARG . 80.1 t80 -80.26 117.12 20.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.471 ' HA ' ' OH ' ' A' ' 99' ' ' TYR . 93.8 m-70 -143.68 135.89 26.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.95 -176.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.413 ' HB2' ' O ' ' A' ' 24' ' ' HIS . 3.4 m-85 75.31 -35.12 0.27 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.457 0.703 . . . . 0.0 112.681 172.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.02 -26.2 0.17 Allowed Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 111.805 -0.518 . . . . 0.0 111.805 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -127.4 -175.26 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 mp -93.47 119.45 32.56 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 171.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.475 ' HB ' ' HB2' ' A' ' 33' ' ' CYS . 20.1 p -137.55 158.23 44.82 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -173.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.4 p -83.82 178.44 7.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.986 0.422 . . . . 0.0 111.229 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -63.61 -38.31 90.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.086 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.959 ' HB3' " H2'" ' C' ' 20' ' ' ' DG' . 0.1 OUTLIER -64.15 -36.29 83.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.267 179.089 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.475 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 98.0 m -62.45 -53.31 56.68 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.658 0.266 . . . . 0.0 110.476 176.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.585 ' HZ1' ' HB3' ' A' ' 34' ' ' LYS . 8.0 ttpm? -59.67 -44.17 93.7 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.995 0.426 . . . . 0.0 110.803 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.471 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -63.87 -55.83 22.3 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.53 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -62.79 -37.57 87.19 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.497 0.189 . . . . 0.0 111.222 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.545 ' O ' HG22 ' A' ' 41' ' ' VAL . 32.3 t80 -58.41 -53.3 59.85 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.699 ' HE3' " H2'" ' B' ' 8' ' ' ' DG' . 26.1 mtmm -64.79 -41.58 95.73 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.531 -0.467 . . . . 0.0 111.411 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 36.2 mmt180 -49.48 -44.66 46.14 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.928 0.394 . . . . 0.0 111.418 177.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.1 m -71.04 -48.15 54.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.24 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.621 ' HB ' HG11 ' A' ' 83' ' ' VAL . 20.8 t -70.38 -41.89 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.755 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -58.47 -40.82 83.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.173 0.511 . . . . 0.0 110.729 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.471 ' N ' HD21 ' A' ' 43' ' ' ASN . 0.9 OUTLIER -90.28 -0.65 57.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.728 -177.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 p30 44.2 43.28 5.69 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.729 0.812 . . . . 0.0 111.293 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.529 ' HZ1' ' HB3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -99.27 162.14 13.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.051 -176.085 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -129.28 147.85 51.15 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.629 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 83.5 m-85 -107.48 156.23 19.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.084 0.468 . . . . 0.0 111.557 -173.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.0 m -105.11 129.08 53.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.839 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.408 ' C ' ' H ' ' A' ' 51' ' ' GLU . 44.5 t -98.0 -52.88 3.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.777 -177.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.9 m 72.56 -38.33 0.42 Allowed 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.59 0.556 . . . . 0.0 112.286 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 49' ' ' CYS . 5.8 mm-40 -61.85 -56.02 23.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.734 0.302 . . . . 0.0 111.617 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 28.3 t -168.25 -26.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.833 -175.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 52' ' ' SER . 89.3 mt-30 76.22 -42.4 0.44 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.344 0.658 . . . . 0.0 110.687 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -85.35 31.64 0.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.299 177.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.9 m -68.41 158.8 32.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.123 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -91.77 109.34 20.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.155 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.526 HD13 ' HB2' ' A' ' 68' ' ' CYS . 43.2 mm -84.59 112.64 22.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.624 176.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.457 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 2.2 p-10 -127.5 -168.04 1.83 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.284 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.57 -29.21 70.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.535 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 57.4 p -90.29 -50.84 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.405 ' HG2' ' NH1' ' A' ' 64' ' ' ARG . 65.5 mt-30 -83.25 5.95 21.25 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.482 ' HA ' HG23 ' A' ' 57' ' ' ILE . 14.7 ptt180 -53.13 -36.91 61.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.081 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.76 ' HB2' H5'' ' C' ' 19' ' ' ' DT' . 0.1 OUTLIER -95.55 -6.37 40.57 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -175.4 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.405 ' NH1' ' HG2' ' A' ' 61' ' ' GLN . 97.1 mtt180 -81.66 -38.77 25.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.447 -174.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 81.7 m -119.26 95.44 49.3 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.794 0.33 . . . . 0.0 111.293 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 26.7 Cg_endo -64.6 -37.72 35.82 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.472 2.114 . . . . 0.0 111.235 175.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.629 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 87.6 t80 -61.01 -53.64 54.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.523 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.526 ' HB2' HD13 ' A' ' 57' ' ' ILE . 34.1 m -64.15 -33.73 76.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.921 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.722 HH21 ' HA ' ' A' ' 63' ' ' LYS . 28.6 ttm180 -63.56 -52.18 62.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.135 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.43 -44.36 97.26 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.935 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.89 -39.08 87.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.916 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.914 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 55.7 tttt -72.44 -27.91 62.62 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 121.111 -0.235 . . . . 0.0 111.494 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 74.7 m -59.98 -46.99 87.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.703 HD22 HD11 ' A' ' 80' ' ' LEU . 28.6 mt -70.24 -39.53 74.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.09 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.914 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 3.1 m -50.52 -51.96 42.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.911 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.431 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -70.73 -17.99 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.734 -176.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.43 25.56 6.28 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 119.872 -1.156 . . . . 0.0 113.548 174.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.0 mmm -75.01 118.43 17.96 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -59.92 118.97 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.703 HD11 HD22 ' A' ' 74' ' ' LEU . 17.5 tp -69.06 -33.42 73.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.477 0.656 . . . . 0.0 109.891 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.34 -5.29 10.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.743 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.533 ' HA ' HD21 ' A' ' 93' ' ' ASN . . . -79.68 3.3 19.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.14 0.495 . . . . 0.0 110.713 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.695 HG12 ' HG2' ' A' ' 38' ' ' LYS . 58.7 t -102.21 98.76 7.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.447 175.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.499 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -80.01 71.59 6.73 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.509 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.32 -4.16 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.402 -171.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -89.58 15.57 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.47 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.905 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 7.4 mmm180 65.28 70.36 0.46 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.404 175.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.475 ' HB3' ' HG2' ' A' ' 84' ' ' ARG . 13.7 tpt -147.71 121.47 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.444 174.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.749 ' HG2' " O4'" ' B' ' 8' ' ' ' DG' . 63.3 mtt180 -92.27 60.91 3.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.366 0.603 . . . . 0.0 111.718 -173.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.572 ' HA2' " C5'" ' C' ' 27' ' ' ' DA' . . . -84.06 127.13 7.93 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.051 177.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.457 ' O ' " H5'" ' B' ' 7' ' ' ' DG' . . . -66.1 -26.8 72.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.41 -0.424 . . . . 0.0 113.252 -176.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.78 ' HB2' H5'' ' C' ' 28' ' ' ' DG' . 41.1 mtm180 -130.66 118.7 21.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.313 0.578 . . . . 0.0 111.28 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.533 HD21 ' HA ' ' A' ' 82' ' ' ALA . 54.7 m-20 -80.57 -162.34 0.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.649 173.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.45 ' HE2' ' HA ' ' A' ' 94' ' ' LYS . 10.3 mmpt? -67.68 -24.6 65.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.357 . . . . 0.0 111.418 -172.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -89.46 16.6 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.1 0.476 . . . . 0.0 110.434 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.54 -50.74 47.11 Favored Glycine 0 CA--C 1.526 0.739 0 CA-C-N 115.712 -0.677 . . . . 0.0 114.155 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.493 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 73.8 Cg_exo -52.43 -56.36 2.95 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.545 2.163 . . . . 0.0 113.19 177.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.8 ptm -64.61 -33.33 75.67 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.818 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.471 ' OH ' ' HA ' ' A' ' 24' ' ' HIS . 60.9 t80 -60.23 -47.07 87.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.255 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 1.075 ' HE3' H5'' ' C' ' 29' ' ' ' DC' . 9.2 mtpm? -66.9 -38.58 86.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.924 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 97' ' ' PRO . 22.0 mtm180 -61.02 -51.79 67.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.776 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 27.5 t70 -60.82 -43.23 98.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.649 -178.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.444 ' HD3' ' CD2' ' A' ' 23' ' ' TYR . 28.9 tpt180 -64.0 -44.22 93.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.36 -50.52 65.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.138 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.38 -21.67 63.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.344 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 102' ' ' ASP . 43.2 tttp -67.01 -38.97 86.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.35 176.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -92.33 -35.3 13.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.215 0.531 . . . . 0.0 110.498 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -100.42 93.18 5.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.549 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -102.35 170.07 8.3 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.665 -176.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 111' ' ' ALA . 0.3 OUTLIER -78.98 134.87 36.8 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.395 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.437 ' N ' ' HD2' ' A' ' 110' ' ' LYS . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.192 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.777 " H1'" " H5'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O5'-C5'-C4' 111.487 0.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.777 " H5'" " H1'" ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C4'-C3'-C2' 102.551 -0.649 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.697 " C2'" ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 P-O3'-C3' 120.58 0.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.762 H2'' ' C6 ' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 P-O3'-C3' 120.504 0.67 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 0.786 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C4'-C3'-C2' 104.849 1.649 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.786 ' C8 ' H2'' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C4'-C3'-C2' 104.482 1.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.684 ' H22' ' HD3' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-N19 108.323 0.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.749 " O4'" ' HG2' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 C3'-C2'-C1' 105.058 1.684 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.905 H5'' ' HD2' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 C4'-C3'-C2' 104.048 0.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.745 ' C5 ' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.392 0.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 107.381 1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.737 H2'' ' OP2' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 107.236 1.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.737 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 P-O3'-C3' 121.497 1.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.513 H2'' ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-C2' 107.029 0.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.513 ' OP2' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 107.293 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.621 " H2'" ' H71' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 O5'-C5'-C4' 111.7 1.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.783 " H1'" " H5'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C4'-C3' 106.575 0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.783 " H5'" " H1'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-C1' 104.612 1.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.76 H5'' ' HB2' ' A' ' 63' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 104.932 1.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.959 " H2'" ' HB3' ' A' ' 32' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C1'-N19 108.863 1.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 P-O3'-C3' 120.279 0.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.481 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C4'-C3'-C2' 104.782 1.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.591 " H1'" " H5'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 P-O3'-C3' 120.974 1.062 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.897 " H1'" " H5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 P-O3'-C3' 120.495 0.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.897 " H5'" " H1'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-C2' 107.13 0.936 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 0.688 ' H8 ' H2'' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-N19 108.904 1.381 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.572 " C5'" ' HA2' ' A' ' 90' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-C2' 107.477 1.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.78 H5'' ' HB2' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C4'-C3'-C2' 104.525 1.325 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 1.075 H5'' ' HE3' ' A' ' 100' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 106.983 0.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.667 ' OP2' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 P-O3'-C3' 120.937 1.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.623 ' HG3' ' HG ' ' A' ' 28' ' ' LEU . 61.5 mm-40 -141.13 162.54 35.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.324 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.8 mt -132.4 148.99 52.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.148 172.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.6 t -68.37 117.05 46.0 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.12 -8.01 21.54 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.904 2.403 . . . . 0.0 112.625 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -87.25 -55.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.209 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.49 -16.21 11.94 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -170.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.16 23.47 48.37 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.597 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -102.95 -172.17 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.54 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 73.5 mmtt -72.52 172.42 10.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.493 HG13 ' HB3' ' A' ' 28' ' ' LEU . 16.4 m -112.91 160.28 12.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.028 0.442 . . . . 0.0 111.1 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 t -109.62 10.56 24.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.425 0.631 . . . . 0.0 109.532 179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.61 -171.93 14.0 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.803 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -80.77 105.7 12.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.976 0.417 . . . . 0.0 109.966 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.509 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 94.5 m-70 -134.73 130.93 36.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.613 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 65.93 15.72 10.18 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.967 173.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.8 -11.55 27.5 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.466 176.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.23 175.05 9.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.072 0.436 . . . . 0.0 111.086 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.623 ' HG ' ' HG3' ' A' ' 11' ' ' GLU . 3.2 mm? -81.58 102.81 10.87 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 172.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.509 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 17.2 p -126.34 152.63 45.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.275 -174.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 1.6 p -96.42 159.66 14.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.161 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.679 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 12.6 tp10 -73.27 -6.84 48.64 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -177.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.908 ' HA ' " H2'" ' C' ' 20' ' ' ' DG' . 22.3 p -74.87 -45.4 43.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.185 0.517 . . . . 0.0 109.693 173.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.2 m -77.58 -40.6 41.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.909 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.709 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 49.4 tttm -63.22 -33.01 74.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.676 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.56 ' HA2' ' NZ ' ' A' ' 38' ' ' LYS . . . -63.15 -53.33 40.81 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.448 ' HD1' ' OP2' ' C' ' 19' ' ' ' DT' . 80.2 t80 -59.07 -47.04 86.68 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.657 0.269 . . . . 0.0 110.473 176.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.469 ' O ' HG21 ' A' ' 41' ' ' VAL . 42.8 t80 -53.96 -52.43 60.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.087 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.709 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 32.3 mtmm -62.36 -50.63 70.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.77 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.682 ' HG3' ' H72' ' C' ' 19' ' ' ' DT' . 9.1 mmt180 -58.9 -30.39 67.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 111.398 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.923 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 73.5 m -70.63 -54.53 11.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.987 177.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.761 HG22 HG22 ' A' ' 83' ' ' VAL . 12.0 m -65.07 -39.75 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 38' ' ' LYS . 59.1 mt-30 -55.64 -42.21 74.65 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.616 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.566 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 48.3 m-80 -97.98 -0.23 45.15 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.886 -176.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.78 33.08 15.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.181 0.515 . . . . 0.0 109.864 -178.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.923 ' HE2' ' HA ' ' A' ' 40' ' ' THR . 44.2 mtmt -66.38 126.48 28.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.869 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -135.18 120.36 18.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -114.2 177.97 4.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 p -138.58 151.57 47.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.883 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 49.7 t -108.85 -27.79 9.54 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.027 -177.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.726 HG23 ' HG3' ' A' ' 51' ' ' GLU . 54.2 m 70.45 146.23 0.06 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.142 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.726 ' HG3' HG23 ' A' ' 50' ' ' THR . 38.6 mt-10 76.48 -91.68 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.837 0.855 . . . . 0.0 111.618 175.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' ' 54' ' ' SER . 33.6 t -90.16 -55.52 3.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.54 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 27.3 mt-30 70.72 -17.38 0.29 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.615 0.766 . . . . 0.0 112.222 177.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 52' ' ' SER . 21.5 t -93.64 70.58 4.19 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.1 m -96.13 149.07 22.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.154 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -80.2 153.39 28.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.11 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.481 HG13 ' HA ' ' A' ' 69' ' ' ARG . 49.1 mm -115.45 110.87 33.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.04 0.448 . . . . 0.0 110.727 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -129.55 -166.32 1.64 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.68 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -54.64 -38.86 67.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.113 0.482 . . . . 0.0 111.268 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.2 p -89.46 -49.51 6.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.091 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -78.56 -2.45 38.91 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.402 ' HA ' HG22 ' A' ' 57' ' ' ILE . 34.8 ptt180 -67.72 -30.93 70.55 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.405 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.901 ' HE2' " H4'" ' C' ' 19' ' ' ' DT' . 91.5 mttt -95.98 -8.86 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.668 0.271 . . . . 0.0 111.34 175.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -85.06 -38.9 18.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.671 0.272 . . . . 0.0 111.662 -174.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.496 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 68.8 m -122.98 95.03 46.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.882 0.372 . . . . 0.0 111.524 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 26.6 Cg_endo -64.13 -45.73 9.46 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.502 2.135 . . . . 0.0 111.946 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.04 -48.97 79.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.757 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 34.8 m -63.17 -35.59 80.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.646 -178.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.481 ' HA ' HG13 ' A' ' 57' ' ' ILE . 74.8 ttt180 -70.89 -40.88 71.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.869 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -61.48 -49.07 78.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.156 0.503 . . . . 0.0 109.979 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.65 -33.37 75.78 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.528 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -59.8 -46.02 90.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.342 . . . . 0.0 110.371 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.497 ' O ' HG22 ' A' ' 76' ' ' VAL . 64.2 m -59.64 -44.37 93.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.241 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -71.21 -31.29 67.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.313 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.2 m -58.6 -49.49 77.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.802 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 73' ' ' CYS . 16.4 m -67.24 -18.62 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.329 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.16 21.95 7.1 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.174 -1.013 . . . . 0.0 113.071 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.43 ' SD ' ' HB3' ' A' ' 73' ' ' CYS . 85.7 mtp -65.96 109.8 2.67 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -58.25 109.92 0.85 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.783 -173.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 tp -71.41 -31.76 67.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.704 178.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.731 ' HG3' ' HZ ' ' A' ' 95' ' ' PHE . 10.6 pt-20 -78.13 -2.28 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.424 177.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.92 -38.73 19.03 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.851 0.358 . . . . 0.0 110.693 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.761 HG22 HG22 ' A' ' 41' ' ' VAL . 4.0 p -78.49 113.89 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 121.692 0.758 . . . . 0.0 110.676 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -104.05 103.29 13.09 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.186 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 42' ' ' GLN . . . -76.01 1.48 15.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.175 -170.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.63 -82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.047 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.705 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 11.1 tpt180 -172.96 31.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.506 0.67 . . . . 0.0 109.644 172.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.675 ' O ' H5'' ' B' ' 8' ' ' ' DG' . 71.7 mmm -96.73 105.08 17.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.056 0.455 . . . . 0.0 110.589 -178.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.7 ' HA ' " C5'" ' B' ' 8' ' ' ' DG' . 14.7 mtm180 -80.75 59.86 3.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.462 -175.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.698 ' HA2' " H4'" ' B' ' 7' ' ' ' DG' . . . 128.1 -128.09 5.91 Favored Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.993 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.73 ' HA2' " H4'" ' C' ' 27' ' ' ' DA' . . . 92.58 62.55 1.14 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.758 ' HB3' H5'' ' C' ' 28' ' ' ' DG' . 32.0 ttm180 -81.17 86.14 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -136.93 -56.6 0.72 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.037 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -61.82 -34.13 75.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.107 0.479 . . . . 0.0 110.758 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.731 ' HZ ' ' HG3' ' A' ' 81' ' ' GLU . 72.2 m-85 -100.79 11.13 40.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.723 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.447 ' O ' ' HG2' ' A' ' 100' ' ' LYS . . . -50.62 -64.22 3.85 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 116.065 -0.516 . . . . 0.0 113.465 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.615 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 36.1 Cg_exo -58.23 -48.26 16.57 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.748 2.298 . . . . 0.0 113.387 -177.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -71.64 -34.31 69.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.446 ' OH ' H5'' ' B' ' 6' ' ' ' DA' . 83.6 t80 -69.6 -48.12 61.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 0.0 110.357 -178.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.615 ' HE2' ' HA ' ' A' ' 97' ' ' PRO . 62.8 pttt -68.15 -33.94 75.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.501 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.579 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 45.4 ttm180 -64.71 -57.18 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.766 -178.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -41.58 90.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.388 . . . . 0.0 110.916 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -65.03 -39.08 92.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.033 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.44 -37.3 60.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 71.4 mt -63.6 -38.17 90.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.776 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -66.81 -29.46 69.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.595 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -80.05 -65.98 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.096 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 53.92 34.97 20.69 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.278 -170.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -84.05 -25.52 29.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.504 -178.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -67.75 102.18 1.17 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.482 174.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.155 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.21 177.872 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.431 ' C6 ' ' C6 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.432 -0.517 0 O5'-C5'-C4' 111.866 1.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.66 H2'' ' C5 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-N19 108.68 1.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.774 H2'' ' C7 ' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 O4'-C1'-N19 108.26 0.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.774 ' C7 ' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 107.12 0.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 0.737 " H5'" " H1'" ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-N19 109.079 1.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.577 ' OP2' H2'' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.243 1.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.698 " H4'" ' HA2' ' A' ' 90' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C4'-C3'-C2' 104.543 1.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.761 " H1'" " H5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-C2' 107.54 1.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.761 " H5'" " H1'" ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 P-O3'-C3' 121.599 1.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.635 ' C6 ' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C4'-C3' 106.575 0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.61 H2'' ' C8 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 O4'-C1'-C2' 107.479 1.254 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.61 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 101.197 -1.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.883 H2'' ' C8 ' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 107.022 0.838 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.883 ' C8 ' H2'' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C4'-C3'-C2' 102.617 -0.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.702 ' OP2' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 O4'-C1'-C2' 107.494 1.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.48 " H2'" ' H73' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O5'-C5'-C4' 111.526 0.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.484 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-C2' 104.306 1.106 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.954 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-N19 108.628 1.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.954 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-C2' 107.38 1.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 1.012 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 109.118 1.647 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 1.012 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 P-O3'-C3' 120.796 0.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.629 ' C6 ' H2'' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 O4'-C4'-C3' 106.363 0.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.489 ' C5 ' ' C2 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 P-O3'-C3' 120.734 0.862 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.729 " H1'" " H5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.264 1.059 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.729 " H5'" " H1'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C3'-C2'-C1' 104.64 1.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 0.682 " O4'" " H1'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C4'-C3'-C2' 104.326 1.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.732 " H1'" " H5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C3'-C2'-C1' 104.666 1.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.758 H5'' ' HB3' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 P-O3'-C3' 120.981 1.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.551 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C4'-C3'-C2' 104.317 1.117 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.551 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-C2' 106.992 0.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 N--CA 1.461 0.117 0 CA-C-O 121.079 0.466 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.474 ' HG3' HD22 ' A' ' 28' ' ' LEU . 26.1 mm-40 -68.51 145.04 54.39 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.303 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.5 mt -111.36 147.14 35.81 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.751 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -71.85 114.56 29.8 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.884 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.78 7.46 1.97 Allowed 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.639 2.226 . . . . 0.0 113.042 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.5 t -95.7 -62.11 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.036 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.8 p -99.66 -16.11 18.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.006 -174.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.43 0.13 82.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.194 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.98 -177.26 6.34 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HB3' ' HE2' ' A' ' 19' ' ' LYS . 45.6 mtpt -82.08 156.17 24.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.702 0.287 . . . . 0.0 110.438 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.8 m -93.37 158.78 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.503 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 p -108.04 -7.48 16.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.331 0.586 . . . . 0.0 109.917 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.26 -172.18 29.35 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.98 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -80.61 112.67 18.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.926 0.393 . . . . 0.0 110.023 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.576 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 50.6 m-70 -130.49 140.53 50.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 69.37 -79.39 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.567 0.542 . . . . 0.0 111.277 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.21 21.06 0.56 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.537 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -175.68 -175.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 HD22 ' HG3' ' A' ' 11' ' ' GLU . 7.0 mp -81.63 118.99 23.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.326 0.584 . . . . 0.0 110.243 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.576 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 1.7 p -138.54 -171.38 3.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.872 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.5 p -131.01 156.14 45.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.32 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.61 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 3.6 mp0 -57.23 -23.41 47.79 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.978 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.45 ' HG ' " H3'" ' C' ' 20' ' ' ' DG' . 26.9 t -61.18 -57.06 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.68 0.276 . . . . 0.0 110.366 177.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.0 m -71.7 -39.87 69.91 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.757 ' HG2' ' HZ1' ' A' ' 38' ' ' LYS . 74.9 tttt -47.15 -56.07 7.3 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.563 0.697 . . . . 0.0 111.154 173.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.13 -42.89 66.04 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.557 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -60.52 -44.13 96.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.781 0.324 . . . . 0.0 110.571 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.506 ' O ' HG21 ' A' ' 41' ' ' VAL . 13.2 t80 -58.18 -49.71 76.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.228 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.757 ' HZ1' ' HG2' ' A' ' 34' ' ' LYS . 26.2 mtmm -62.94 -44.67 95.42 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.445 177.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.6 mtm-85 -64.95 -18.0 64.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.64 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 51.0 m -85.61 -49.1 8.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.861 0.362 . . . . 0.0 110.622 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.732 HG22 HG12 ' A' ' 83' ' ' VAL . 14.5 m -70.51 -39.97 76.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -56.27 -40.44 74.24 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.642 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 89.8 m-20 -92.3 4.67 52.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.683 -175.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 60.99 33.72 19.63 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.236 0.541 . . . . 0.0 110.091 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.642 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 55.2 mtpt -73.38 120.55 19.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.318 -174.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -120.88 151.69 39.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.544 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.714 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 79.0 m-85 -139.77 170.61 15.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.235 0.54 . . . . 0.0 111.372 -175.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.9 m -144.95 95.13 2.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.709 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.692 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 39.0 t -73.5 -14.9 61.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.428 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.597 HG23 ' HG3' ' A' ' 51' ' ' GLU . 14.3 m 75.39 145.91 0.09 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.705 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.597 ' HG3' HG23 ' A' ' 50' ' ' THR . 41.1 mt-10 70.96 -85.4 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.904 174.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.7 p -93.62 -33.5 13.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.685 0.279 . . . . 0.0 110.831 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.692 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 53.2 mt-30 64.67 9.75 5.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.798 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -151.56 85.72 1.32 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.42 0.629 . . . . 0.0 110.289 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.6 m -87.62 176.42 7.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.751 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -71.14 101.85 2.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.691 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.497 HD12 ' HB2' ' A' ' 68' ' ' CYS . 37.9 mm -75.58 95.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -130.38 -171.87 2.66 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.31 -0.859 . . . . 0.0 108.995 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -56.52 -33.72 66.33 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 122.61 0.364 . . . . 0.0 111.721 -176.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.4 p -89.01 -25.78 21.81 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -115.24 -0.11 13.34 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -170.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -66.84 -31.07 71.45 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -176.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.576 ' HE3' " O3'" ' C' ' 19' ' ' ' DT' . 58.2 mttp -95.82 -11.28 27.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.604 0.24 . . . . 0.0 111.275 176.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -84.65 -37.18 21.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.581 -174.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.516 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.4 m -113.99 93.39 29.62 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.788 0.327 . . . . 0.0 111.27 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.05 -44.23 7.73 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.604 2.202 . . . . 0.0 111.757 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.714 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 32.1 t80 -64.83 -46.46 81.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.953 0.406 . . . . 0.0 110.586 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.516 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 55.9 m -61.08 -36.0 78.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.749 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -74.93 -37.25 62.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.514 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -58.28 -53.91 52.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.161 0.505 . . . . 0.0 109.696 174.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.96 -34.3 71.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.365 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.5 ' O ' ' HB ' ' A' ' 75' ' ' THR . 0.0 OUTLIER -65.72 -37.5 86.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 178.477 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 84.8 m -60.06 -50.5 73.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.66 -38.64 85.53 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.93 175.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 53.7 m -51.99 -52.33 51.25 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.834 178.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.4 m -75.79 -28.92 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.092 -171.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.13 10.26 1.16 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 119.973 -1.108 . . . . 0.0 113.434 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 75.7 mtp -81.81 109.19 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -89.18 147.05 24.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.376 -169.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 mt -71.64 -37.29 70.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.727 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -77.28 2.74 14.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.985 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.34 4.26 41.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.314 0.578 . . . . 0.0 109.622 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.732 HG12 HG22 ' A' ' 41' ' ' VAL . 90.7 t -90.11 114.5 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.97 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.472 ' HD2' " H4'" ' B' ' 8' ' ' ' DG' . 32.6 ttm180 -84.63 86.36 7.32 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.937 170.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.18 -2.02 57.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.098 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.91 -71.26 0.48 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.848 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 0.0 OUTLIER 176.43 141.6 0.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.943 175.68 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.946 ' H ' H5'' ' B' ' 9' ' ' ' DG' . 10.8 tpt -66.92 91.84 0.21 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.052 0.453 . . . . 0.0 109.926 174.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.886 ' HA ' H5'' ' C' ' 26' ' ' ' DG' . 68.1 mtm180 -146.17 -46.03 0.2 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.042 -175.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -92.6 -178.6 40.99 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.635 -175.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 1.0 ' HA2' H5'' ' C' ' 27' ' ' ' DA' . . . -78.91 157.25 43.21 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.445 -0.407 . . . . 0.0 112.819 -176.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.765 ' HG3' " H4'" ' C' ' 27' ' ' ' DA' . 41.4 mtp180 -88.0 87.91 7.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.88 0.371 . . . . 0.0 110.342 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -86.46 -49.05 7.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.669 ' HZ3' ' HB3' ' A' ' 94' ' ' LYS . 7.6 mtpm? -57.51 -65.37 0.64 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.32 -174.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -97.66 51.69 1.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.321 0.582 . . . . 0.0 110.578 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.98 -73.39 1.19 Allowed Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.121 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -58.08 -56.26 1.74 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.489 2.792 . . . . 0.0 113.384 -177.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 23.6 ptm -57.84 -31.75 66.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.901 0.381 . . . . 0.0 110.887 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -72.83 -51.35 19.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.835 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -59.63 -40.94 89.26 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.559 -178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.55 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 99.3 mtt180 -65.7 -56.66 10.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.91 -42.73 90.35 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.013 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.675 ' NH1' H5'' ' B' ' 6' ' ' ' DA' . 50.2 ttp180 -63.92 -39.31 93.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.637 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.789 ' HA ' HE21 ' A' ' 107' ' ' GLN . . . -70.33 -39.01 74.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.011 0.434 . . . . 0.0 110.931 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 78.6 mt -74.32 -23.78 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -80.55 -30.84 37.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.707 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.789 HE21 ' HA ' ' A' ' 104' ' ' ALA . 29.6 pt20 -87.72 -6.87 58.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.203 0.525 . . . . 0.0 110.178 177.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -71.36 146.93 48.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.578 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.858 ' HE2' ' HA ' ' A' ' 109' ' ' LYS . 8.7 mmpt? -55.06 -71.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.539 0.209 . . . . 0.0 111.235 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -128.01 149.0 50.55 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.344 -179.266 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.608 H2'' ' H8 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O5'-C5'-C4' 111.529 0.95 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.87 H2'' ' C5 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-N19 109.017 1.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.87 ' C5 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C1'-O4'-C4' 110.354 0.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.669 " H5'" " H1'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C4'-C3'-C2' 102.511 -0.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 0.607 ' C5 ' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C1'-O4'-C4' 110.426 0.518 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.675 H5'' ' NH1' ' A' ' 103' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 P-O3'-C3' 120.945 1.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.784 " H1'" " H5'" ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C4'-C3' 106.559 0.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.784 " H5'" " H1'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 104.514 1.296 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.946 H5'' ' H ' ' A' ' 88' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C4'-C3'-C2' 102.425 -0.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.526 H2'' ' OP2' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C3'-C2'-C1' 101.573 -0.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.526 ' OP2' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 104.572 1.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.624 " H1'" " H5'" ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 P-O3'-C3' 120.47 0.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.638 H2'' ' OP2' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-C2' 107.294 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.638 ' OP2' H2'' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.543 1.312 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.402 ' H8 ' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C4'-C3'-C2' 104.323 1.123 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.681 ' H6 ' " O5'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O5'-C5'-C4' 111.697 1.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.649 H2'' ' H8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 P-O3'-C3' 121.056 1.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.649 ' H8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-C2' 104.596 -1.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.73 " H1'" " H5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 107.505 1.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.805 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C4'-C3' 106.615 1.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.805 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C1'-C2' 106.92 0.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.693 " H5'" " H1'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-C2' 107.012 0.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.584 H2'' ' C5 ' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-N19 108.515 0.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.584 ' C5 ' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 P-O3'-C3' 120.576 0.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.981 " H1'" " H5'" ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 107.618 1.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 0.981 " H5'" " H1'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C1'-C2' 104.577 -1.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 1.0 H5'' ' HA2' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-C2' 107.588 1.353 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.911 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 P-O3'-C3' 120.545 0.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.742 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C4'-C3' 106.34 0.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.742 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-N19 108.278 0.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 CA--C 1.517 -0.311 0 CA-C-O 121.286 0.565 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.492 ' O ' HG21 ' A' ' 20' ' ' VAL . 31.2 mt-10 -105.32 149.9 25.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.306 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.485 HD21 ' O ' ' A' ' 17' ' ' GLY . 5.7 mp -111.5 159.89 17.66 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.427 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 75.2 m -62.99 131.37 94.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.812 -175.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -70.08 -4.6 14.58 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.959 2.439 . . . . 0.0 112.386 176.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.583 HG22 ' HB3' ' A' ' 72' ' ' LYS . 2.0 p -104.04 -74.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.624 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.0 p -80.15 -53.54 6.59 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.538 -176.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.485 ' O ' HD21 ' A' ' 12' ' ' LEU . . . 126.19 -1.02 7.7 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.238 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.445 ' HB2' ' HG ' ' A' ' 30' ' ' CYS . 21.4 m-20 -75.02 155.1 37.66 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.323 0.561 . . . . 0.0 109.88 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -63.81 136.79 57.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.303 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 11' ' ' GLU . 27.0 m -72.94 148.0 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.881 -173.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.6 t -108.29 -0.27 20.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.096 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.34 -165.51 24.69 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.291 178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -80.95 111.78 17.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.493 0.187 . . . . 0.0 110.575 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.734 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 38.1 m-70 -133.22 115.55 15.13 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.705 177.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.755 ' CE1' " H3'" ' B' ' 7' ' ' ' DG' . 59.5 m-85 71.42 1.19 3.75 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.867 0.729 . . . . 0.0 112.733 168.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.15 -60.11 0.19 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.987 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.448 HD11 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -146.95 -165.22 2.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.776 0.322 . . . . 0.0 111.14 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.457 HD12 ' HE3' ' A' ' 106' ' ' LYS . 31.5 mt -58.08 112.08 1.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.685 178.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.734 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 15.9 p -138.55 161.57 36.73 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.401 177.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 32.0 p -90.25 171.56 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -70.54 -18.81 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.127 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.562 ' HB2' ' OP2' ' C' ' 21' ' ' ' DG' . 19.9 t -69.5 -44.76 70.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.4 m -61.5 -51.56 68.15 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.214 0.53 . . . . 0.0 109.618 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 30.8 tttm -59.06 -46.24 88.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.673 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 39' ' ' ARG . . . -62.87 -48.73 78.53 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.346 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -64.19 -37.05 86.08 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.43 -45.04 94.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.263 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.548 ' O ' ' HB2' ' A' ' 42' ' ' GLN . 6.4 mtmp? -62.37 -45.16 94.4 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.226 176.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 96.1 mtt-85 -59.4 -34.03 71.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -178.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.7 m -78.63 -57.72 3.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.268 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.8 t -67.54 -46.69 82.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -173.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 39.6 mt-30 -67.38 -32.04 72.69 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -91.99 0.46 57.47 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.783 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 54.0 45.13 28.26 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.606 0.566 . . . . 0.0 110.73 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -77.59 155.93 31.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.71 -175.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -134.68 146.43 49.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.86 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -132.18 168.2 18.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.611 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.8 m -154.91 122.86 5.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.39 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.707 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 50.2 t -99.01 138.27 36.35 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.1 m -95.09 -13.61 24.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.125 0.488 . . . . 0.0 110.875 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.564 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 8.5 mm-40 -78.96 -81.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.58 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.463 ' C ' ' H ' ' A' ' 54' ' ' SER . 9.3 t -142.96 16.73 1.94 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 -176.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.707 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 46.5 mt-30 70.37 -33.78 0.27 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.345 0.658 . . . . 0.0 111.94 -178.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.463 ' H ' ' C ' ' A' ' 52' ' ' SER . 25.2 m -129.85 89.0 2.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.385 0.612 . . . . 0.0 109.765 175.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 51' ' ' GLU . 50.0 m -89.3 -175.36 4.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.796 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -63.85 141.2 58.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.932 175.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.8 mm -105.96 122.32 59.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.092 0.472 . . . . 0.0 109.96 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.493 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 24.1 t70 -150.78 179.57 8.1 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -174.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 49.3 mtmt -58.25 -41.25 83.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.28 0.363 . . . . 0.0 111.096 -177.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.1 t -88.6 -36.5 16.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.112 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.493 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 30.7 mm-40 -64.29 -31.26 72.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.828 -175.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.483 ' HB2' ' HD2' ' A' ' 69' ' ' ARG . 37.4 ptt180 -68.63 -14.83 63.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.376 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.765 ' HE3' H5'' ' C' ' 19' ' ' ' DT' . 50.8 mtpt -95.76 -41.66 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.061 0.458 . . . . 0.0 109.918 174.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.483 ' HD2' ' NE2' ' A' ' 61' ' ' GLN . 61.5 mtt180 -65.71 -42.73 90.77 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.078 -178.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.607 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.9 m -120.38 81.07 30.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.982 178.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.45 -26.79 47.34 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.382 2.055 . . . . 0.0 111.249 176.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -65.2 -50.41 66.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.068 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.607 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 34.7 m -60.79 -41.25 95.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.207 0.527 . . . . 0.0 110.246 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HD2' ' HB2' ' A' ' 62' ' ' ARG . 74.4 ttt180 -60.85 -52.67 64.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.66 177.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -60.06 -45.91 91.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.956 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -56.72 -43.53 80.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.192 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.699 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 34.4 ttmt -72.08 -27.45 62.67 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.999 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.5 m -56.9 -51.06 70.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.82 -31.61 72.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.699 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 35.5 m -58.88 -48.32 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.861 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.53 -23.76 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.573 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.67 7.29 2.14 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.073 -1.06 . . . . 0.0 113.901 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.506 ' SD ' HG22 ' A' ' 29' ' ' THR . 85.1 mtp -75.69 135.89 40.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.397 0.599 . . . . 0.0 110.147 177.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -118.05 149.32 41.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.291 -176.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.6 mt -75.57 -30.68 59.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.416 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -56.79 -25.61 55.96 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.951 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.54 -25.95 62.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.069 0.462 . . . . 0.0 110.717 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.429 HG22 ' CE1' ' A' ' 25' ' ' TYR . 46.0 t -78.84 106.56 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.373 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.9 mtt-85 -86.27 82.23 8.09 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.29 -4.97 6.05 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -170.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.5 -89.87 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.627 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 15.1 tpp180 -163.12 27.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.534 ' O ' H5'' ' B' ' 8' ' ' ' DG' . 17.0 mmt -89.43 114.7 26.2 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.324 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.587 ' HB3' ' N2 ' ' B' ' 7' ' ' ' DG' . 26.7 mtp180 -91.18 36.58 0.92 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.342 -170.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.519 ' O ' " H4'" ' C' ' 27' ' ' ' DA' . . . -162.87 104.87 0.24 Allowed Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.067 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.506 ' HA3' " H5'" ' B' ' 7' ' ' ' DG' . . . -97.15 39.25 2.83 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.942 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.613 ' HD2' ' O2 ' ' B' ' 5' ' ' ' DC' . 37.9 mtp180 -86.0 178.15 7.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.6 -0.353 . . . . 0.0 110.746 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.44 ' HB2' " C5'" ' C' ' 28' ' ' ' DG' . 65.4 t30 72.01 -52.56 0.7 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.017 0.927 . . . . 0.0 111.917 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -55.47 -48.98 73.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.931 0.396 . . . . 0.0 110.63 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.515 ' O ' ' HG2' ' A' ' 98' ' ' MET . 90.2 m-85 -117.72 13.77 14.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.319 0.581 . . . . 0.0 109.778 174.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.87 -47.85 58.44 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.287 -0.869 . . . . 0.0 114.097 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -51.62 -43.46 50.51 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.802 2.335 . . . . 0.0 113.482 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.515 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 28.5 ptm -73.86 -30.17 62.51 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.742 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.491 ' HB3' ' OP1' ' B' ' 6' ' ' ' DA' . 22.6 m-85 -67.56 -47.8 68.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.964 0.411 . . . . 0.0 110.69 179.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.33 -31.44 67.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.001 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 58.9 ttt180 -67.5 -46.06 74.03 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.188 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.11 -38.73 92.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.204 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.438 ' HD2' ' OE1' ' A' ' 107' ' ' GLN . 18.5 tpp85 -58.63 -44.13 89.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.246 175.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.94 -24.41 64.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.203 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 93.3 mt -77.74 -45.67 24.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.818 0.342 . . . . 0.0 110.721 177.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.457 ' HE3' HD12 ' A' ' 28' ' ' LEU . 66.3 mttm -67.97 -46.94 69.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.866 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.438 ' OE1' ' HD2' ' A' ' 103' ' ' ARG . 15.6 mt-30 -75.68 -48.81 20.45 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.218 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 62.04 -78.98 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.928 0.768 . . . . 0.0 111.909 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -105.92 95.2 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.572 ' HD3' ' H ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -90.92 -11.6 38.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.807 -177.254 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.571 -0.728 . . . . 0.0 109.859 178.786 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.553 H2'' ' OP2' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O5'-C5'-C4' 111.608 1.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.789 " H1'" " H5'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O4'-C1'-C2' 107.087 0.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.789 " H5'" " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-C2' 106.961 0.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 1.036 " H1'" " H5'" ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C4'-C3'-C2' 104.447 1.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 1.036 " H5'" " H1'" ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-C2' 107.436 1.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.614 H2'' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 104.378 1.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.783 " H1'" " H5'" ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C4'-C3'-C2' 102.472 -0.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.783 " H5'" " H1'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C4'-C3'-C2' 102.354 -0.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.657 ' OP2' H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 102.628 -0.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.929 " H1'" " H5'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 P-O3'-C3' 120.695 0.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.929 " H5'" " H1'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-C1' 104.939 1.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.48 H2'' ' OP2' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 P-O3'-C3' 120.737 0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.48 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C4'-C3'-C2' 104.291 1.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.84 H2'' ' C8 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 O4'-C4'-C3' 104.488 -1.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.84 ' C8 ' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 P-O3'-C3' 120.382 0.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.507 H2'' ' C5 ' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O5'-C5'-C4' 111.833 1.166 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.507 ' C5 ' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-N19 108.488 0.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.885 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 C4'-C3'-C2' 102.654 -0.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.885 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 P-O3'-C3' 121.332 1.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C4'-C3'-C2' 104.458 1.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.562 ' OP2' ' HB2' ' A' ' 32' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 P-O3'-C3' 120.819 0.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.614 H2'' ' C6 ' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 P-O3'-C3' 120.911 1.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.733 " H1'" " H5'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-N19 108.6 1.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.733 " H5'" " H1'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-C2' 107.348 1.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.724 ' C6 ' H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C4'-C3'-C2' 104.418 1.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 1.014 " H1'" " H5'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-N19 108.654 1.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 1.014 " H5'" " H1'" ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.575 1.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.717 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 105.058 -0.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.715 ' OP2' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 P-O3'-C3' 120.915 1.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.694 ' C6 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C4'-C3'-C2' 104.071 0.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.485 ' O ' HG23 ' A' ' 20' ' ' VAL . 42.4 mt-10 -142.69 149.43 38.83 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.075 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 12' ' ' LEU . 5.0 mp -121.0 155.87 33.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.901 -176.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.6 m -60.69 139.26 93.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.0 2.66 5.23 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.705 2.27 . . . . 0.0 112.568 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 72' ' ' LYS . 1.5 p -113.17 -76.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.468 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.7 p -78.38 -31.67 48.53 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.559 -175.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' HD22 ' A' ' 12' ' ' LEU . . . 89.02 38.08 6.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.914 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.611 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 59.8 m-20 -110.34 157.58 19.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 117.022 0.411 . . . . 0.0 110.65 176.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HE3' ' HB3' ' A' ' 19' ' ' LYS . 8.6 mmmt -51.69 120.04 4.82 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.756 0.66 . . . . 0.0 111.397 176.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 11' ' ' GLU . 3.8 m -62.61 135.85 26.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.869 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.5 t -98.95 -33.99 10.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.669 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.63 -170.56 38.22 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.769 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -77.32 108.78 10.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.732 0.301 . . . . 0.0 110.687 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.569 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 43.1 m-70 -132.77 122.3 24.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.739 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' HE1' ' HB ' ' A' ' 83' ' ' VAL . 92.4 m-85 69.78 -8.61 0.77 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.859 0.864 . . . . 0.0 113.235 169.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.1 -43.18 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.022 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -160.12 -168.31 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.722 0.261 . . . . 0.0 110.549 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.47 108.58 0.65 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.733 0.645 . . . . 0.0 111.266 174.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 7.1 p -136.58 164.18 28.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.961 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 18' ' ' ASP . 21.2 p -93.21 176.68 6.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.267 178.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -72.41 -19.8 61.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.841 ' HG ' " H3'" ' C' ' 20' ' ' ' DG' . 1.2 m -60.54 -47.75 84.79 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.093 174.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.3 m -64.8 -53.13 51.77 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.713 176.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HE2' ' N7 ' ' B' ' 8' ' ' ' DG' . 26.4 tttm -52.09 -48.73 64.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.113 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.77 -48.26 62.55 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.911 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -64.09 -40.36 96.06 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.018 0.437 . . . . 0.0 110.645 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.611 ' O ' HG23 ' A' ' 41' ' ' VAL . 23.9 t80 -57.94 -50.25 74.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.005 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.596 ' HZ1' H2'' ' B' ' 8' ' ' ' DG' . 37.9 mtmt -61.25 -44.17 97.68 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.729 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 75.1 mtp180 -58.95 -33.03 70.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 110.659 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.6 m -73.78 -60.72 2.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.972 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.783 HG21 HG23 ' A' ' 83' ' ' VAL . 15.7 m -63.71 -48.69 85.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -173.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.778 ' HG2' ' HA ' ' A' ' 85' ' ' ALA . 68.3 mt-30 -73.04 -33.71 65.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.408 . . . . 0.0 112.019 -172.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -84.19 2.48 39.54 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.007 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 58.26 42.58 21.56 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.536 0.684 . . . . 0.0 110.324 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -93.96 145.54 24.56 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.151 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -137.26 130.11 30.39 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -105.48 176.59 5.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.861 0.362 . . . . 0.0 110.623 -175.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -137.25 -177.6 4.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.016 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 53' ' ' GLN . 52.7 t -122.87 156.63 34.23 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.151 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.7 t -109.58 3.65 21.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.229 0.538 . . . . 0.0 110.249 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.674 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 37.5 mt-10 -128.61 -145.45 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.026 -177.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 6.5 m -84.39 19.52 1.89 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -177.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 55.8 mt-30 74.09 -51.35 0.69 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.489 0.715 . . . . 0.0 112.143 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 p -88.06 70.19 9.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.743 0.782 . . . . 0.0 110.104 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.674 ' SG ' ' HB2' ' A' ' 51' ' ' GLU . 53.5 m -84.13 -176.65 6.36 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.719 -177.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 73.0 mmtt -91.78 116.22 28.71 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.972 174.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.59 103.23 9.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.429 0.633 . . . . 0.0 109.859 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.539 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -119.23 176.71 5.19 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.223 -179.223 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -62.98 -37.4 86.99 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.993 0.425 . . . . 0.0 110.814 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.4 t -88.94 -35.08 16.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.539 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 82.7 mm-40 -70.94 -24.3 62.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.693 0.282 . . . . 0.0 111.56 -175.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -70.25 -15.67 62.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -176.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.847 ' HE2' H5'' ' C' ' 19' ' ' ' DT' . 91.4 mttt -96.01 -11.43 26.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.831 174.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HD2' ' OE1' ' A' ' 61' ' ' GLN . 73.0 mtt180 -91.46 -43.29 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.278 0.561 . . . . 0.0 110.013 -177.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.678 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 65.5 m -116.15 84.05 13.39 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.205 175.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.99 -33.72 50.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.662 2.241 . . . . 0.0 111.611 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -64.38 -46.54 82.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.517 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.678 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 32.9 m -61.18 -38.85 87.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.188 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -62.3 -51.99 65.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.133 176.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 73' ' ' CYS . 84.3 t80 -59.72 -49.91 75.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.053 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.406 ' C ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER -63.43 -31.33 72.46 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.897 -176.171 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.522 ' O ' ' HB ' ' A' ' 75' ' ' THR . 39.2 ttmt -74.3 -27.97 60.96 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.577 175.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 83.3 m -57.94 -43.61 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 78' ' ' MET . 6.9 mp -66.84 -36.53 82.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.439 . . . . 0.0 110.272 174.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.522 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 28.3 m -55.42 -48.32 74.58 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.758 176.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.74 -17.98 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.71 -1.54 3.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 119.972 -1.109 . . . . 0.0 114.161 173.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.486 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 86.2 mtp -75.31 120.86 21.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.547 0.674 . . . . 0.0 110.389 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -109.54 158.0 18.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.117 0.484 . . . . 0.0 111.896 -175.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -76.34 -21.1 56.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.324 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -70.62 -21.94 62.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.881 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.95 0.46 44.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.233 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.783 HG23 HG21 ' A' ' 41' ' ' VAL . 6.1 p -129.67 139.17 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.042 0.449 . . . . 0.0 110.284 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -122.79 135.32 54.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.572 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.778 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . . . -85.6 -22.73 27.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.301 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 61.5 m-20 -66.04 -88.04 0.01 OUTLIER 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.903 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 1.6 tpp180 175.86 99.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.984 174.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.568 ' O ' " H5'" ' B' ' 8' ' ' ' DG' . 13.3 tmm? -150.34 107.87 3.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.625 ' HD2' ' H22' ' B' ' 7' ' ' ' DG' . 73.0 mtm180 -108.78 26.47 10.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.765 -174.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.521 ' HA2' " H1'" ' C' ' 26' ' ' ' DG' . . . -72.64 -23.85 77.19 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.467 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.638 ' HA2' " O4'" ' B' ' 7' ' ' ' DG' . . . 78.04 -73.71 2.11 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.559 175.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.707 ' HD2' " H1'" ' B' ' 5' ' ' ' DC' . 78.4 mtp180 -67.22 108.87 2.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.338 0.589 . . . . 0.0 111.061 -175.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.406 ' CG ' ' H ' ' A' ' 94' ' ' LYS . 9.2 t-20 -137.19 -141.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.485 -177.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.406 ' H ' ' CG ' ' A' ' 93' ' ' ASN . 85.6 tttt -48.53 -44.23 36.13 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -175.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.455 ' O ' ' HG2' ' A' ' 98' ' ' MET . 67.4 m-85 -91.8 5.49 49.68 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.607 -174.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.95 -51.78 38.42 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.222 -0.513 . . . . 0.0 113.23 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.52 -43.4 55.08 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.979 2.453 . . . . 0.0 113.643 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 25.1 ptm -71.86 -31.44 66.48 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.972 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.762 ' HD2' H5'' ' B' ' 6' ' ' ' DA' . 24.9 m-85 -64.32 -53.3 50.96 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.808 0.337 . . . . 0.0 110.257 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -67.11 -32.46 73.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.46 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.452 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 15.0 ttm180 -67.73 -53.82 24.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.325 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.05 -35.38 76.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.842 0.353 . . . . 0.0 110.188 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -64.87 -46.26 82.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.631 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.71 88.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.019 0.438 . . . . 0.0 110.714 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 68.8 mt -67.45 -40.52 85.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.375 177.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -64.54 -41.79 96.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.394 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -84.02 11.63 7.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.699 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -63.32 -32.32 73.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.071 0.463 . . . . 0.0 109.98 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -84.16 146.92 27.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.021 175.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 110' ' ' LYS . 13.9 tppt? -70.04 118.73 13.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.467 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.448 -0.786 . . . . 0.0 109.897 179.819 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O5'-C5'-C4' 111.36 0.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.658 H2'' ' C5 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 109.136 1.67 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.658 ' C5 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-C2' 107.399 1.181 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.58 ' H71' " H2'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C4'-C3'-C2' 104.641 1.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 0.707 " H1'" ' HD2' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-N19 108.517 0.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.762 H5'' ' HD2' ' A' ' 99' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C4'-C3'-C2' 104.26 1.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.703 ' OP2' H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 P-O3'-C3' 121.565 1.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.877 H2'' ' OP2' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-N19 108.768 1.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.895 " H1'" " H5'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 P-O3'-C3' 121.663 1.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.895 " H5'" " H1'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-C2' 104.596 -1.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.562 ' OP2' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 O4'-C1'-C2' 107.511 1.283 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.556 ' H8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 P-O3'-C3' 120.358 0.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.506 H2'' ' OP2' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-N19 108.892 1.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.721 H2'' ' C8 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 102.33 -0.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.721 ' C8 ' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 P-O3'-C3' 120.592 0.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.632 H2'' ' C6 ' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 O5'-C5'-C4' 111.573 0.981 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.632 ' C6 ' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.65 1.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.87 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C3'-C2'-C1' 105.026 1.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.87 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C4'-C3'-C2' 104.379 1.179 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.841 " H3'" ' HG ' ' A' ' 32' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C1'-N19 109.051 1.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.638 " H1'" " H5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 P-O3'-C3' 120.611 0.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.869 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-C2' 107.375 1.159 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.869 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C4'-C3' 106.295 0.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.452 ' H6 ' " O5'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 107.523 1.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.54 " H4'" ' NH2' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C4'-C3'-C2' 104.835 1.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 0.586 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-N19 108.792 1.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.586 ' C8 ' H2'' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-C2' 104.187 0.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.905 H2'' ' C6 ' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C3'-C2'-C1' 101.716 -0.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.905 ' C6 ' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C1'-N19 108.626 1.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 106.752 0.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.318 0.58 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.57 133.48 48.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.964 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -131.19 154.51 48.32 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.323 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.42 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 35.5 t -68.21 115.93 34.11 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.712 175.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.6 -6.02 15.63 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.7 2.267 . . . . 0.0 112.533 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.461 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 84.6 t -80.07 -66.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.635 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 p -110.11 -22.39 11.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -170.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.74 11.94 42.23 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.889 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -77.67 167.08 22.16 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.757 0.278 . . . . 0.0 110.444 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -70.9 140.89 51.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.088 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 28' ' ' LEU . 27.0 m -68.68 147.19 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.323 0.582 . . . . 0.0 111.776 -177.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -113.3 15.65 19.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.458 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.11 -174.85 21.71 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.353 -0.839 . . . . 0.0 112.243 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -80.37 121.31 25.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -142.27 -64.89 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.982 0.42 . . . . 0.0 110.915 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.648 ' CE1' ' HG3' ' A' ' 34' ' ' LYS . 38.3 m-85 -100.29 71.61 1.58 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.134 0.492 . . . . 0.0 110.85 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.4 -26.43 6.36 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.534 -0.757 . . . . 0.0 113.525 174.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 HD23 HG21 ' A' ' 76' ' ' VAL . 1.9 pt? -164.99 -161.69 0.57 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.976 0.388 . . . . 0.0 110.508 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' HB3' ' CG1' ' A' ' 20' ' ' VAL . 3.2 mm? -59.71 107.41 0.6 Allowed 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.73 174.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.554 HG23 ' HB2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -132.17 150.96 52.03 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.181 -175.148 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.6 p -104.58 155.18 19.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.85 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.56 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 16.7 tp10 -63.59 -22.39 66.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.202 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.1 p -68.89 -45.02 72.02 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.161 -0.337 . . . . 0.0 110.749 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.0 m -74.57 -35.5 63.05 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.195 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.648 ' HG3' ' CE1' ' A' ' 25' ' ' TYR . 60.4 tttt -57.3 -49.27 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.079 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.522 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -60.88 -48.57 85.61 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.161 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.16 -42.24 90.29 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 111.035 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -62.15 -48.31 80.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.702 179.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.778 ' HG2' " H2'" ' B' ' 8' ' ' ' DG' . 17.9 mtpt -54.5 -48.9 71.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.963 175.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 18.7 mmm180 -56.16 -47.53 78.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.294 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.7 m -73.81 -55.51 6.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.944 -174.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.04 -42.81 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -171.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.925 HE21 " H3'" ' B' ' 8' ' ' ' DG' . 13.1 mm-40 -67.59 -35.73 79.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.977 0.418 . . . . 0.0 111.718 -175.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -88.65 11.13 18.29 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.098 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 p30 45.26 43.03 7.75 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 124.27 0.981 . . . . 0.0 110.182 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -87.61 158.61 18.83 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.192 -1.367 . . . . 0.0 111.771 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -145.14 118.04 8.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.308 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -90.56 173.15 8.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.965 0.412 . . . . 0.0 111.155 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.8 m -132.12 122.21 25.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.396 -178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.0 t -97.25 114.95 26.75 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 p -76.62 -8.85 58.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -88.4 -150.84 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.076 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.3 p -83.55 5.02 25.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.88 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 71.51 -48.27 0.67 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.549 0.74 . . . . 0.0 111.978 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -81.59 61.53 5.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.341 0.591 . . . . 0.0 110.138 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.7 m -89.69 167.29 13.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.977 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -89.61 127.42 35.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.045 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.1 mm -87.26 90.97 3.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.477 0.656 . . . . 0.0 109.775 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.526 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 15.5 t70 -102.2 178.95 4.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.352 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -58.78 -39.29 80.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.0 0.429 . . . . 0.0 110.644 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -89.65 -43.59 10.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.899 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.526 ' HG3' ' HB3' ' A' ' 58' ' ' ASP . 33.9 mt-30 -69.88 -15.97 63.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.241 -170.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -69.97 -10.18 57.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.66 ' HG2' " C5'" ' C' ' 19' ' ' ' DT' . 14.2 mtpt -95.25 -41.17 9.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 111.247 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -70.41 -31.55 68.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.299 -174.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.668 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 91.6 m -118.06 83.55 19.67 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.421 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.98 -38.0 13.92 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.25 1.967 . . . . 0.0 111.594 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -61.05 -39.4 89.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.242 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.668 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 49.3 m -70.33 -35.88 73.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.469 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 1.136 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 57.3 ttt180 -65.01 -38.85 92.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 176.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -58.62 -49.46 77.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.962 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.793 ' HA ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER -58.89 -42.42 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.523 177.047 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' HG3' ' HA ' ' A' ' 15' ' ' VAL . 19.7 tptm -59.25 -38.68 80.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.92 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.02 -56.15 24.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.283 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.507 ' HA ' ' O ' ' A' ' 78' ' ' MET . 8.8 mp -61.22 -24.37 66.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.55 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.8 m -66.3 -51.83 53.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.816 0.341 . . . . 0.0 111.352 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.415 HG21 HD23 ' A' ' 27' ' ' LEU . 26.0 m -72.14 -22.8 21.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.834 -172.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.42 0.46 2.37 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.125 -1.035 . . . . 0.0 113.23 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.507 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 74.8 mtp -74.59 111.53 9.88 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -96.88 163.03 13.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.8 mt -75.95 -36.6 59.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.93 -174.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -68.86 -7.1 31.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.716 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' HA ' ' CE1' ' A' ' 95' ' ' PHE . . . -71.35 -19.24 62.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.112 0.482 . . . . 0.0 110.43 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -96.64 146.18 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.745 ' HB2' H5'' ' B' ' 8' ' ' ' DG' . 4.3 mmp_? -92.32 99.86 12.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.158 -0.339 . . . . 0.0 110.794 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.81 -11.67 29.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.23 0.538 . . . . 0.0 110.805 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.74 -9.28 56.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.854 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.752 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 0.3 OUTLIER 68.3 16.89 9.3 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.765 0.793 . . . . 0.0 109.0 -175.623 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.456 ' HE1' " O3'" ' C' ' 26' ' ' ' DG' . 9.9 tpt -94.08 118.23 31.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.881 -177.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.762 ' HD3' ' H22' ' B' ' 7' ' ' ' DG' . 98.0 mtt180 -67.63 -19.04 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.394 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.642 ' HA3' " H5'" ' C' ' 27' ' ' ' DA' . . . -79.32 61.2 4.21 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.195 177.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.433 ' H ' " H4'" ' B' ' 7' ' ' ' DG' . . . -94.63 32.32 6.13 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.217 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.803 ' O ' H5'' ' C' ' 28' ' ' ' DG' . 24.2 ttt85 -96.51 98.18 10.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.74 -0.23 . . . . 0.0 111.083 -176.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.462 ' HB2' ' O ' ' A' ' 92' ' ' ARG . 67.3 t30 176.94 -60.3 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.749 0.309 . . . . 0.0 111.552 174.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -52.3 -49.7 63.65 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.432 ' O ' ' HG3' ' A' ' 98' ' ' MET . 34.9 m-85 -95.37 11.55 32.32 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -173.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.92 -64.88 3.89 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.016 -0.611 . . . . 0.0 113.393 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.84 -39.28 83.0 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.929 2.42 . . . . 0.0 113.265 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.432 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 3.9 ppp? -64.33 -27.87 69.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.478 -176.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -51.94 -55.38 20.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.82 0.819 . . . . 0.0 110.497 173.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -67.4 -34.33 77.03 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.566 -178.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.634 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 35.5 ttm180 -63.16 -50.15 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.156 177.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.426 ' CG ' ' HZ3' ' A' ' 106' ' ' LYS . 30.9 t70 -59.57 -42.57 92.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.816 -177.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -58.32 -44.09 88.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.378 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.24 -35.75 76.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.049 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 98.9 mt -63.4 -45.82 89.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.764 178.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.426 ' HZ3' ' CG ' ' A' ' 102' ' ' ASP . 57.1 mttp -66.32 -37.67 85.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.093 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -62.31 -38.35 89.06 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.144 0.497 . . . . 0.0 110.452 174.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -64.56 -29.62 70.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.658 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -96.07 -65.47 0.97 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.04 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -116.05 105.69 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.153 0.501 . . . . 0.0 111.315 -173.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.687 -0.673 . . . . 0.0 109.533 177.186 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.833 H2'' ' C8 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.549 0 O5'-C5'-C4' 111.618 1.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.833 ' C8 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 104.444 1.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.718 ' C6 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C4'-C3'-C2' 104.584 1.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.585 ' C6 ' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C4'-C3'-C2' 104.222 1.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 0.692 " H1'" ' NH1' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C4'-C3'-C2' 102.687 -0.513 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.427 " H4'" ' HG3' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-N19 108.849 1.311 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.914 H2'' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C4'-C3'-C2' 104.679 1.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.925 " H3'" HE21 ' A' ' 42' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C4'-C3'-C2' 104.43 1.23 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.752 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 P-O3'-C3' 120.688 0.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C4'-C3' 106.35 0.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.666 H2'' ' C8 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C4'-C3'-C2' 105.127 1.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.666 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C1'-O4'-C4' 110.664 0.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.964 " H1'" " H5'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.157 0.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.964 " H5'" " H1'" ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 O4'-C1'-C2' 107.178 0.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.495 ' OP2' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 P-O3'-C3' 121.084 1.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.674 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.601 0 C4'-C3'-C2' 102.021 -1.179 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.674 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 P-O3'-C3' 120.98 1.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.669 H2'' ' OP2' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 O4'-C1'-C2' 106.858 0.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 1.136 " H3'" HH12 ' A' ' 69' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 109.082 1.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.61 H2'' ' OP2' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C1'-O4'-C4' 110.378 0.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.61 ' OP2' H2'' ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 P-O3'-C3' 121.13 1.191 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.968 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 104.495 1.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.968 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 P-O3'-C3' 120.989 1.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.914 " H1'" " H5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-N19 108.514 0.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.914 " H5'" " H1'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 P-O3'-C3' 121.068 1.14 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 0.727 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C4'-C3'-C2' 104.519 1.319 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.868 " H1'" " H5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 C1'-O4'-C4' 110.5 0.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.868 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-C2' 107.49 1.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.953 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-N19 108.852 1.316 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.953 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-C2' 107.532 1.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.527 0.68 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.498 ' CD ' ' HZ1' ' A' ' 106' ' ' LYS . 29.6 mt-10 -102.53 150.64 23.19 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.16 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -100.01 141.17 33.19 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.988 0.423 . . . . 0.0 110.843 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.36 122.85 52.28 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.18 -10.91 30.27 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.21 2.606 . . . . 0.0 112.671 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.422 ' HB ' ' HG ' ' A' ' 33' ' ' CYS . 60.9 t -80.3 -33.36 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.254 177.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 p -139.16 -85.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.553 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.87 46.0 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.968 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -116.6 150.84 37.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -55.85 126.81 27.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.146 0.498 . . . . 0.0 109.916 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.619 HG13 ' HB3' ' A' ' 28' ' ' LEU . 35.3 m -64.35 147.98 12.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.281 -173.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.6 m -98.09 20.51 12.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.437 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.87 178.54 15.99 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.494 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -92.64 107.78 19.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.028 0.442 . . . . 0.0 110.182 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 5.8 p80 -154.56 149.62 26.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.476 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 34' ' ' LYS . 63.9 m-85 70.11 15.28 7.66 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.795 0.684 . . . . 0.0 110.174 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.68 17.67 63.31 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.5 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.8 mt -155.18 162.05 41.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.239 0.542 . . . . 0.0 112.114 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.619 ' HB3' HG13 ' A' ' 20' ' ' VAL . 3.3 mm? -80.37 102.29 9.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 168.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.2 p -129.08 148.81 51.06 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 120.948 0.404 . . . . 0.0 111.129 -173.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.6 p -87.78 161.5 17.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.559 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -58.71 -32.32 69.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.856 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 m -57.03 -48.48 78.42 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.422 ' HG ' ' HB ' ' A' ' 15' ' ' VAL . 91.5 m -72.11 -38.73 69.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' HG3' ' CE1' ' A' ' 25' ' ' TYR . 27.7 ttpt -59.6 -43.44 93.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 0.0 110.284 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.33 -50.82 62.78 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.418 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -65.42 -40.28 93.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.574 0.226 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 41' ' ' VAL . 22.2 t80 -58.38 -46.49 86.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.88 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.57 ' HD2' " H2'" ' B' ' 8' ' ' ' DG' . 55.4 mtmt -56.24 -58.15 9.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.564 176.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -56.86 -29.9 63.33 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 m -82.17 -55.99 4.2 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.488 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.422 ' CG1' HG12 ' A' ' 83' ' ' VAL . 35.9 t -68.54 -37.6 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.485 -173.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.731 ' HG2' ' HA ' ' A' ' 85' ' ' ALA . 98.1 mt-30 -62.11 -21.63 65.15 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.631 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 50.3 m-80 -113.06 1.81 15.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.919 0.39 . . . . 0.0 110.145 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.455 ' N ' HD21 ' A' ' 44' ' ' ASN . 0.9 OUTLIER 60.05 35.25 21.38 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.89 179.31 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.631 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 87.2 mttt -73.67 120.84 19.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.276 -173.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -109.49 97.36 6.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.416 172.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.574 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 60.9 m-85 -72.62 174.28 7.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.473 -178.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.3 m -135.62 129.78 33.38 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.529 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.862 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 48.5 t -97.99 165.13 12.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.7 p -70.17 -64.31 0.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 0.0 112.235 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -86.33 -138.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.494 -174.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.3 m -66.59 0.05 2.52 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.91 0.484 . . . . 0.0 111.603 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.862 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 40.1 mt-30 68.7 8.57 6.82 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.012 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -108.52 78.59 1.17 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 40.1 m -103.5 174.01 6.05 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.751 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -84.08 142.01 30.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.793 177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.5 mm -106.37 98.02 6.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.136 0.493 . . . . 0.0 110.539 -177.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -128.06 178.96 5.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.848 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 26.7 ttpp -53.71 -34.76 59.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.556 0.535 . . . . 0.0 112.425 -174.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 p -89.03 -50.1 6.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.108 0.411 . . . . 0.0 112.108 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.543 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 22.6 mt-30 -72.77 -16.2 61.64 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -171.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.537 ' O ' ' HD2' ' A' ' 69' ' ' ARG . 37.9 ptt180 -71.42 -5.47 33.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 111.075 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' HG2' H5'' ' C' ' 19' ' ' ' DT' . 93.6 mttt -95.44 -45.8 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.098 0.475 . . . . 0.0 110.344 176.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.543 ' HG2' ' HA ' ' A' ' 61' ' ' GLN . 9.1 ptm180 -75.63 -27.37 58.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.418 -176.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.499 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 93.1 m -114.86 81.12 7.13 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.296 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.49 -33.44 22.71 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.225 1.95 . . . . 0.0 111.443 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.574 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 80.2 t80 -64.19 -51.27 64.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.335 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.499 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 32.6 m -60.61 -40.89 93.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.236 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.654 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 59.2 ttt180 -60.77 -46.87 88.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.791 178.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.24 -50.79 71.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.572 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -59.57 -39.57 84.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -54.87 -46.42 74.74 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.296 0.238 . . . . 0.0 110.99 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.406 ' SG ' HG13 ' A' ' 15' ' ' VAL . 63.2 m -55.22 -50.09 70.31 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.57 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.485 HD21 HD23 ' A' ' 80' ' ' LEU . 8.4 mp -67.78 -32.42 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.379 . . . . 0.0 112.008 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.3 m -63.31 -44.09 95.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 0.0 111.303 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.2 m -74.94 -22.83 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.065 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.43 33.04 1.15 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.367 -0.92 . . . . 0.0 114.142 171.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.4 mtp -78.25 118.06 20.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.444 0.622 . . . . 0.0 109.617 174.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -73.37 120.01 18.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.252 -174.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.485 HD23 HD21 ' A' ' 74' ' ' LEU . 68.3 mt -59.65 -38.95 82.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.813 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.469 ' HG3' ' HZ ' ' A' ' 95' ' ' PHE . 10.3 pt-20 -76.33 6.87 4.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.927 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.05 2.72 46.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.048 0.451 . . . . 0.0 110.513 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.422 HG12 ' CG1' ' A' ' 41' ' ' VAL . 3.5 p -99.11 147.59 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.548 178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.741 ' HB3' H5'' ' B' ' 8' ' ' ' DG' . 5.2 tpt180 -113.68 111.25 21.5 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.721 -0.391 . . . . 0.0 109.972 176.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.731 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . . . -85.73 -18.71 32.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.345 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 5.1 m-20 -57.27 -78.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.055 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 1.025 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 15.8 tpp85 169.49 -31.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.672 -176.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 92.6 mmm -52.88 126.12 19.24 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.382 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.658 ' HD3' ' N2 ' ' B' ' 7' ' ' ' DG' . 96.0 mtt180 -96.64 3.79 52.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.899 -177.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -127.85 127.69 5.84 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.276 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.45 45.72 0.19 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.21 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.627 ' O ' H5'' ' C' ' 28' ' ' ' DG' . 59.8 ttp180 -88.74 86.73 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.999 0.428 . . . . 0.0 110.526 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.575 ' HB3' ' OP1' ' C' ' 28' ' ' ' DG' . 5.2 p30 -157.89 -52.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.691 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -56.51 -46.59 80.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.987 0.423 . . . . 0.0 111.733 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.469 ' HZ ' ' HG3' ' A' ' 81' ' ' GLU . 94.0 m-85 -91.66 8.48 36.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.666 -178.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.534 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -53.61 -53.87 33.41 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-O 119.525 -0.597 . . . . 0.0 113.633 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 10.0 Cg_endo -52.42 -46.73 31.11 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.068 2.512 . . . . 0.0 113.203 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.453 ' SD ' ' HD2' ' A' ' 95' ' ' PHE . 26.9 ptm -71.6 -35.2 70.42 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.547 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.437 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 7.8 m-85 -63.32 -54.38 38.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.026 0.441 . . . . 0.0 110.644 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -58.58 -52.23 66.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.763 -177.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.506 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 32.3 ttm180 -62.14 -51.07 69.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.532 -176.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.05 -45.89 91.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.618 0.247 . . . . 0.0 111.123 -175.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 99' ' ' TYR . 60.6 mtm180 -62.59 -40.64 97.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.958 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.434 ' HA ' ' HG2' ' A' ' 107' ' ' GLN . . . -63.65 -34.98 79.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.012 0.434 . . . . 0.0 110.902 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 71.5 mt -72.02 -37.95 69.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.524 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.681 ' HE3' ' HA ' ' A' ' 111' ' ' ALA . 82.0 tttt -73.22 -40.62 64.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.296 -178.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 4.1 pt20 -73.9 2.3 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 111.109 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -61.35 -33.53 73.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 171.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.565 ' HZ2' ' HB3' ' A' ' 109' ' ' LYS . 9.1 mtpm? -125.06 -77.48 0.59 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.334 179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -171.86 -51.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.681 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.249 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.618 H2'' ' H8 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 O5'-C5'-C4' 111.701 1.072 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.618 ' H8 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 105.006 -0.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.49 ' C5 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 O4'-C4'-C3' 106.073 0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.67 H2'' ' OP2' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C4'-C3' 106.133 0.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' DC' . . . . . 0.67 ' OP2' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 P-O3'-C3' 121.197 1.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.534 H2'' ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-N19 108.596 0.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.743 H2'' ' OP2' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-N19 109.055 1.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.743 ' OP2' H2'' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 P-O3'-C3' 121.124 1.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 1.025 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 P-O3'-C3' 121.729 1.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.539 H2'' ' OP2' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-N19 108.59 0.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.539 ' OP2' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 104.98 1.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.473 ' C8 ' " C2'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 104.673 -1.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.468 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 P-O3'-C3' 120.73 0.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ' DA' . . . . . 0.686 " H1'" " H5'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C1'-O4'-C4' 110.352 0.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ' DG' . . . . . 0.686 " H5'" " H1'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 105.065 1.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.627 " H1'" " H5'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.633 0 O5'-C5'-C4' 111.666 1.047 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.627 " H5'" " H1'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 107.623 1.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.534 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C4'-C3'-C2' 104.536 1.336 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.654 " H3'" HH12 ' A' ' 69' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C1'-O4'-C4' 110.582 0.63 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . 0.917 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-C2' 104.283 -1.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.917 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 P-O3'-C3' 121.151 1.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.904 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C1'-O4'-C4' 110.689 0.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.904 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.463 1.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.57 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 P-O3'-C3' 121.234 1.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.689 H2'' ' H8 ' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C4'-C3'-C2' 103.912 0.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' ' DG' . . . . . 0.719 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C4'-C3'-C2' 104.653 1.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 1.035 " H1'" " H5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-N19 108.575 0.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 1.035 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-C2' 107.424 1.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' ' DC' . . . . . 0.687 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 104.648 -1.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.687 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.261 1.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.654 0.264 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -106.02 148.21 27.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.257 0.551 . . . . 0.0 110.72 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.8 mt -111.74 153.07 27.04 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.116 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.479 ' HB2' ' H ' ' A' ' 17' ' ' GLY . 38.2 m -66.03 137.25 95.79 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.344 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -67.27 -13.19 38.63 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.535 2.157 . . . . 0.0 112.439 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.619 ' HB ' ' HG3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -104.03 -81.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.627 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.568 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.6 p -69.65 -31.82 70.12 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.479 ' H ' ' HB2' ' A' ' 13' ' ' CYS . . . 93.45 14.44 53.53 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.314 177.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.497 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 67.5 m-20 -83.76 164.55 19.51 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 117.205 0.502 . . . . 0.0 111.106 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 13.1 mptt -65.22 127.9 33.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.979 176.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.424 HG11 ' HB3' ' A' ' 28' ' ' LEU . 21.3 m -76.35 136.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.249 0.547 . . . . 0.0 111.883 -174.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 p -90.61 -12.45 36.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.044 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.13 -165.04 28.61 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.438 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.609 ' HB3' ' HD1' ' A' ' 99' ' ' TYR . 20.1 m-85 -72.38 112.6 8.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.007 0.432 . . . . 0.0 111.188 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.656 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 49.6 m-70 -134.25 125.99 28.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.53 ' HD1' ' HB3' ' A' ' 82' ' ' ALA . 83.6 m-85 64.33 21.36 12.48 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.599 0.562 . . . . 0.0 111.928 173.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.43 0.22 53.52 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.165 -0.541 . . . . 0.0 113.119 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -139.25 158.7 43.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -176.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.4 mm? -70.61 106.24 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 167.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.656 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 19.0 p -139.1 164.92 28.51 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.704 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.626 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 26.7 p -95.52 177.19 5.9 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.583 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -70.01 -20.78 63.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.541 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.626 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 22.7 t -66.08 -45.54 80.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.2 m -63.78 -52.67 59.22 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -54.11 -51.91 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.764 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.89 -48.8 67.57 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.909 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -66.74 -37.89 85.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.593 0.235 . . . . 0.0 110.892 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 41' ' ' VAL . 6.2 t80 -60.88 -47.13 87.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -61.38 -48.88 79.24 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.9 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -55.91 -33.7 64.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.339 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.8 m -78.79 -57.97 3.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.232 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.66 ' HB ' HG11 ' A' ' 83' ' ' VAL . 21.9 t -70.58 -44.12 77.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -65.68 -43.31 89.62 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 111.471 -175.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -82.2 6.87 15.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.088 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 58.02 41.43 24.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.453 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -78.43 142.8 37.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.523 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -143.52 128.04 18.0 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.555 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -123.57 176.05 6.43 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.357 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -153.05 134.37 14.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.003 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.6 t -92.86 136.78 32.94 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.4 m -60.54 -52.11 66.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 0.0 110.854 -176.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -131.89 156.92 45.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 p 46.81 86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.992 0.808 . . . . 0.0 111.798 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.63 -21.74 63.05 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.645 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.4 m -118.94 81.8 1.76 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.831 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.9 179.42 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.036 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 56' ' ' LYS . 5.0 mmmp? -75.91 105.39 6.93 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.0 mm -77.86 95.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.366 0.603 . . . . 0.0 109.728 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.94 -175.89 2.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.535 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -34.23 77.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.731 0.301 . . . . 0.0 111.401 -175.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.9 p -88.82 -48.03 7.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.123 0.487 . . . . 0.0 111.511 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.549 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 90.4 mt-30 -73.89 -7.62 53.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -172.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.472 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 38.6 ptt180 -75.9 -11.7 60.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.947 0.404 . . . . 0.0 110.322 176.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -92.83 -31.57 14.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.53 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.549 ' HG2' ' HA ' ' A' ' 61' ' ' GLN . 12.7 ptm180 -79.06 -34.04 44.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.701 0.286 . . . . 0.0 111.708 -175.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.572 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 92.0 m -116.49 92.9 38.55 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 120.723 0.297 . . . . 0.0 111.634 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -66.63 -39.02 16.8 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.636 2.224 . . . . 0.0 111.445 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.8 -47.04 86.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.677 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 37.6 m -64.1 -35.5 80.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.482 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -68.0 -41.88 81.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.213 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -60.83 -50.76 72.12 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.26 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -57.96 -39.82 79.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.614 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.619 ' HG3' ' HB ' ' A' ' 15' ' ' VAL . 32.4 tptt -58.8 -44.56 90.78 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.465 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 69.0 m -59.09 -54.43 47.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.63 -40.09 93.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.335 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.8 m -63.79 -46.02 87.07 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 72' ' ' LYS . 27.2 m -69.78 -18.76 22.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.537 -176.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.86 15.88 3.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.419 -0.896 . . . . 0.0 114.067 172.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 86.7 mtp -75.04 124.4 26.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.419 0.609 . . . . 0.0 110.202 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.621 ' HA ' ' NE ' ' A' ' 79' ' ' ARG . 2.4 mmp_? -72.09 121.5 19.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.904 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.1 -29.23 60.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.927 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.73 -14.12 62.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.222 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.715 ' HB2' ' HZ ' ' A' ' 95' ' ' PHE . . . -79.77 -9.21 59.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.66 HG11 ' HB ' ' A' ' 41' ' ' VAL . 44.9 t -82.36 97.22 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.199 0.523 . . . . 0.0 110.389 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 88' ' ' MET . 21.4 tpt180 -79.05 78.01 5.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.264 175.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.04 -15.11 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.919 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.537 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 5.7 t70 -55.28 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.173 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.537 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 3.8 tpt180 165.82 -34.53 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.66 0.6 . . . . 0.0 110.057 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.569 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 11.2 tpt -52.72 114.84 1.53 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.279 -177.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.35 -15.83 63.91 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.955 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.39 70.36 2.99 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.35 175.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.45 23.77 5.33 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.372 -0.442 . . . . 0.0 113.285 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -83.22 106.13 14.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.424 0.631 . . . . 0.0 110.348 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.514 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 46.2 m-80 -95.56 -166.38 1.44 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.552 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -15.18 19.8 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -175.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.715 ' HZ ' ' HB2' ' A' ' 82' ' ' ALA . 38.9 p90 -96.71 10.77 37.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.718 0.294 . . . . 0.0 110.697 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.59 -47.58 44.92 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-O 119.541 -0.588 . . . . 0.0 114.065 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.71 -28.21 46.03 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.729 2.286 . . . . 0.0 114.164 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 4.3 ppp? -63.24 -29.48 70.81 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.194 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.609 ' HD1' ' HB3' ' A' ' 23' ' ' TYR . 74.2 m-85 -59.69 -56.75 17.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.322 . . . . 0.0 111.427 -178.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -73.26 -29.87 63.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.737 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -65.29 -54.78 24.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.076 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.94 -40.36 92.98 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.208 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.694 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.962 0.41 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' H ' HG22 ' A' ' 20' ' ' VAL . 32.7 mm-40 -124.6 -177.13 3.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.776 -174.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.2 mt -97.53 145.0 26.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.103 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.447 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 53.7 t -76.39 120.12 80.29 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.784 -178.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.473 ' HG2' HG11 ' A' ' 76' ' ' VAL . 28.8 Cg_endo -64.55 -8.59 17.68 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.9 2.4 . . . . 0.0 112.889 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.636 HG13 ' HB3' ' A' ' 72' ' ' LYS . 82.0 t -82.92 -49.6 16.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.18 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 3.6 p -132.23 -14.69 2.97 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -169.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.92 -1.67 71.22 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.571 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -72.95 160.88 31.41 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.89 123.58 25.33 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 -175.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.571 HG21 HD12 ' A' ' 28' ' ' LEU . 10.6 m -75.54 139.26 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 111.035 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.5 t -93.09 5.68 50.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.163 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.02 178.83 15.47 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.091 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.542 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 88.8 m-85 -58.56 115.11 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.448 0.642 . . . . 0.0 111.827 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.57 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 12.9 m-70 -131.45 123.84 28.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.698 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.78 ' HE1' ' HG3' ' A' ' 34' ' ' LYS . 65.6 m-85 73.03 -71.6 0.13 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.125 0.57 . . . . 0.0 112.024 173.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 77' ' ' GLY . . . -129.67 -24.77 0.98 Allowed Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.123 -177.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.472 HD21 HG23 ' A' ' 76' ' ' VAL . 2.6 pt? -159.18 -176.54 5.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD12 HG21 ' A' ' 20' ' ' VAL . 2.3 pt? -76.95 115.08 16.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.749 0.785 . . . . 0.0 111.053 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.57 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 7.2 p -129.76 168.69 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.319 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 19.6 p -86.33 166.52 15.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.24 -29.69 69.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.093 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.471 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 50.5 m -55.27 -46.08 76.15 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.809 174.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -76.88 -43.01 37.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.898 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.78 ' HG3' ' HE1' ' A' ' 25' ' ' TYR . 33.1 ttpt -51.76 -49.96 61.59 Favored 'General case' 0 C--O 1.245 0.853 0 CA-C-O 121.359 0.6 . . . . 0.0 110.713 176.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -65.53 -52.16 41.76 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -60.42 -40.84 92.46 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.59 0.233 . . . . 0.0 111.129 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -58.16 -50.29 74.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.091 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.602 ' HG2' HG23 ' A' ' 83' ' ' VAL . 26.5 mtmm -59.14 -51.09 71.52 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.435 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 24.6 mmm180 -57.06 -46.93 82.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.299 -174.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.8 m -63.12 -49.95 72.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.654 HG11 ' CG1' ' A' ' 83' ' ' VAL . 44.9 t -63.75 -49.21 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.734 -178.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.64 -34.8 79.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.808 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -83.52 -4.71 58.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -179.523 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.5 m120 59.94 27.95 17.39 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.37 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HG3' ' CB ' ' A' ' 43' ' ' ASN . 90.9 mttt -72.72 114.62 11.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.957 -175.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -106.42 83.88 1.94 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.793 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -68.65 163.21 24.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.308 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 t -130.34 179.31 5.99 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.476 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 42.8 t -159.41 156.88 29.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -101.85 154.22 19.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.725 0.298 . . . . 0.0 111.042 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 59.71 -91.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.474 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.556 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 12.3 m -67.24 -57.68 6.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.712 -172.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.476 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 72.3 mt-30 69.86 -28.23 0.17 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.361 0.665 . . . . 0.0 111.996 -177.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 52' ' ' SER . 21.7 m -105.32 43.19 1.14 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 173.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 52' ' ' SER . 61.6 m -62.51 171.59 1.91 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.529 -177.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -94.23 146.29 24.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.944 -176.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.724 HG13 ' HA ' ' A' ' 69' ' ' ARG . 50.9 mm -115.3 121.92 68.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.992 0.425 . . . . 0.0 110.4 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.539 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 7.4 m-20 -123.01 -172.01 2.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.863 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.7 -28.32 68.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.0 p -87.9 -49.92 6.77 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.928 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.539 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 36.5 mt-30 -79.24 8.07 6.61 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.212 -172.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.49 ' HA ' HG23 ' A' ' 57' ' ' ILE . 37.4 ptt180 -64.3 -33.3 75.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -97.88 -7.1 30.98 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' CD ' ' HA ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -67.44 -63.37 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -173.635 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.549 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.5 m -115.78 97.25 48.62 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.675 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 18.3 Cg_endo -61.38 -40.14 51.15 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.555 2.17 . . . . 0.0 111.843 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -63.48 -46.52 85.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.482 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.718 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . 50.0 m -66.08 -30.64 71.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.683 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.724 ' HA ' HG13 ' A' ' 57' ' ' ILE . 70.3 ttt180 -67.89 -44.75 76.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.052 175.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -64.57 -48.06 76.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.559 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.718 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -70.13 -20.71 63.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.428 -179.474 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.837 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -71.26 -39.65 71.47 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.127 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.515 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 62.5 m -61.0 -38.5 86.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.672 174.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.92 -35.26 69.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.3 m -57.84 -43.11 85.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.473 HG11 ' HG2' ' A' ' 14' ' ' PRO . 33.6 m -80.05 -13.92 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.503 ' O ' ' HA3' ' A' ' 26' ' ' GLY . . . 105.23 26.41 6.28 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.121 -1.038 . . . . 0.0 114.308 171.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.526 ' SD ' HG21 ' A' ' 29' ' ' THR . 79.7 mtp -72.92 113.72 10.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.503 0.652 . . . . 0.0 109.464 173.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -77.56 146.99 35.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.299 -170.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.73 -16.47 60.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.898 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.74 -0.03 28.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.896 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 25' ' ' TYR . . . -111.74 3.23 17.62 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.481 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.654 ' CG1' HG11 ' A' ' 41' ' ' VAL . 7.7 p -116.36 130.21 71.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.137 0.494 . . . . 0.0 110.333 176.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -138.42 133.41 32.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.247 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.1 2.29 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 166.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 87' ' ' ARG . 24.9 t70 -62.09 -16.07 49.73 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.269 -1.332 . . . . 0.0 112.269 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 86' ' ' ASP . 5.3 tpp180 81.89 -16.08 0.65 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.447 0.699 . . . . 0.0 111.36 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.7 tpp -66.6 115.16 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -81.29 58.57 3.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.077 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.22 -132.65 4.75 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.869 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.13 76.41 0.47 Allowed Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.631 -0.587 . . . . 0.0 111.631 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.589 ' HD2' ' HE2' ' A' ' 99' ' ' TYR . 23.2 ttm180 -148.89 110.83 4.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.975 0.417 . . . . 0.0 111.038 -174.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -104.15 -46.1 4.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.938 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -73.26 -16.87 61.38 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.537 ' O ' ' HG3' ' A' ' 98' ' ' MET . 83.8 m-85 -117.81 0.73 12.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.866 0.365 . . . . 0.0 110.341 174.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.435 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -58.0 -56.47 25.02 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 116.041 -0.527 . . . . 0.0 113.39 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 42.1 Cg_endo -68.38 -29.1 32.1 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.521 2.147 . . . . 0.0 113.58 -177.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.537 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 4.9 ppp? -69.93 -29.89 67.15 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.753 -172.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.589 ' HE2' ' HD2' ' A' ' 92' ' ' ARG . 47.3 m-85 -67.63 -49.69 61.7 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.344 0.593 . . . . 0.0 109.778 173.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -61.86 -42.66 99.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.863 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -58.54 -54.07 51.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.047 -0.978 . . . . 0.0 110.947 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.49 -33.42 74.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.573 -175.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.466 ' HA ' ' HE2' ' A' ' 23' ' ' TYR . 24.9 tpt180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.284 176.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 122.092 0.948 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.515 ' HG3' ' HG ' ' A' ' 28' ' ' LEU . 5.7 mm-40 -82.09 152.35 26.62 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.506 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.7 mt -108.18 137.08 46.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.802 0.334 . . . . 0.0 110.618 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.442 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 51.3 t -63.97 118.44 45.75 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.29 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.08 -12.53 36.41 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.787 2.325 . . . . 0.0 112.268 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.442 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 84.4 t -76.65 -56.61 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.469 178.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.1 p -111.58 -55.57 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 111.748 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.48 -1.93 4.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.913 -175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.18 153.8 40.55 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -71.76 132.71 44.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.941 0.401 . . . . 0.0 110.522 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.623 HG11 ' HB3' ' A' ' 28' ' ' LEU . 10.0 m -75.98 163.78 3.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.87 -172.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.6 t -112.88 16.24 19.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.541 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.09 -178.3 17.62 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.142 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -75.99 114.67 14.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.72 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 78.5 m-70 -140.13 134.08 30.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.618 0.246 . . . . 0.0 111.385 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.564 ' HD1' ' HB3' ' A' ' 24' ' ' HIS . 72.8 m-85 70.19 6.04 5.59 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 167.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.3 -35.26 1.91 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.575 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -150.41 -168.28 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.502 0.192 . . . . 0.0 110.739 179.343 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.623 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.2 mm? -72.07 115.28 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.72 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 2.9 p -132.42 155.31 48.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.317 0.58 . . . . 0.0 111.434 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.9 p -96.71 154.65 17.16 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.382 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.519 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 61.9 mm-40 -64.62 -22.51 66.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.263 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 p -62.76 -44.1 97.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.043 0.449 . . . . 0.0 110.571 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.5 m -78.71 -36.78 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.648 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 61.1 tttp -58.92 -43.12 91.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.785 0.326 . . . . 0.0 110.424 176.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.0 -49.39 54.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.21 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -56.34 -45.33 80.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.834 0.35 . . . . 0.0 110.946 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.622 ' O ' HG22 ' A' ' 41' ' ' VAL . 30.2 t80 -55.8 -51.47 67.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.037 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -59.0 -45.42 90.7 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.428 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -58.88 -40.56 84.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.94 0.4 . . . . 0.0 110.836 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.4 m -68.25 -52.28 35.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.01 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.631 HG21 HG21 ' A' ' 83' ' ' VAL . 16.0 m -68.65 -48.96 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 11.6 mm-40 -70.14 -35.82 74.32 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -85.24 1.11 49.64 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.611 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 63.19 28.14 15.81 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.22 0.534 . . . . 0.0 110.111 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -78.73 140.79 38.25 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.947 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -141.27 116.78 10.2 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.638 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CD2' ' HB2' ' A' ' 66' ' ' PRO . 97.9 m-85 -91.58 174.75 7.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.523 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -133.81 151.15 51.48 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.857 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -125.08 119.61 29.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.888 0.375 . . . . 0.0 110.109 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 p -88.08 2.17 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.651 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -102.06 -149.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.401 -175.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -75.2 -4.43 38.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.827 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 71.02 -45.8 0.62 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.455 0.702 . . . . 0.0 111.809 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 m -85.77 62.63 7.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.261 0.553 . . . . 0.0 109.58 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.1 m -84.62 165.8 17.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.487 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -82.58 114.56 21.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.462 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.5 mm -93.11 96.54 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.984 0.421 . . . . 0.0 110.45 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -120.93 -163.64 1.04 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.024 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.533 ' HB2' ' NZ ' ' A' ' 59' ' ' LYS . 9.7 mtmp? -61.12 -38.41 86.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.745 0.307 . . . . 0.0 111.556 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.7 p -88.61 -50.31 6.34 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -87.54 12.2 13.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -173.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -65.43 -31.57 72.73 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.536 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -96.83 -17.0 20.49 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.912 175.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 1.7 mmp_? -64.26 -43.2 95.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.923 0.392 . . . . 0.0 110.548 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.659 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 49.4 m -126.42 85.39 60.27 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.459 174.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.496 ' HB2' ' CD2' ' A' ' 47' ' ' TYR . 14.0 Cg_exo -68.52 -31.03 27.99 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.763 2.309 . . . . 0.0 111.974 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 70.3 t80 -68.14 -41.54 81.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.124 0.488 . . . . 0.0 109.689 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.659 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 56.8 m -64.82 -37.53 87.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.32 177.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -70.45 -36.1 73.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.21 -50.37 72.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.129 0.49 . . . . 0.0 110.032 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -67.8 -28.68 67.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.617 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -59.37 -45.01 92.63 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.068 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.436 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 63.0 m -59.66 -50.22 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.827 176.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.7 HD11 ' HG ' ' A' ' 80' ' ' LEU . 1.7 mm? -57.46 -37.34 72.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.635 177.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.8 m -65.47 -47.82 74.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.779 -177.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.438 HG23 HD11 ' A' ' 27' ' ' LEU . 30.9 m -66.87 -22.46 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.479 -174.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.01 -0.17 3.24 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.36 -0.924 . . . . 0.0 113.671 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 73' ' ' CYS . 82.9 mtp -70.45 132.51 45.68 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 117.107 0.454 . . . . 0.0 110.678 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -97.45 142.64 29.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.095 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.7 ' HG ' HD11 ' A' ' 74' ' ' LEU . 96.6 mt -75.73 -34.48 60.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.752 0.787 . . . . 0.0 109.391 173.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 1.6 pm0 -71.73 6.01 2.2 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.332 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.95 4.08 47.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.078 0.466 . . . . 0.0 110.457 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.631 HG21 HG21 ' A' ' 41' ' ' VAL . 5.7 p -129.62 119.92 49.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.459 0.647 . . . . 0.0 110.128 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -107.09 133.93 50.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.992 -177.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.92 -29.94 44.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.901 -174.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.56 -80.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -179.67 113.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 40.1 tpp -152.93 98.5 2.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -93.52 8.43 40.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.434 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.72 112.4 4.45 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 174.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.75 -19.59 71.47 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.369 -0.443 . . . . 0.0 113.98 -174.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -106.21 94.83 5.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.304 -0.527 . . . . 0.0 110.941 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -110.77 -138.59 0.38 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.58 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -57.51 -28.98 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.265 0.555 . . . . 0.0 110.452 174.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 73.3 m-85 -81.2 3.24 24.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.065 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.457 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -58.27 -58.25 15.58 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-O 119.747 -0.474 . . . . 0.0 113.368 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 10.4 Cg_endo -54.34 -45.5 40.52 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.844 2.363 . . . . 0.0 112.915 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.9 ptm -70.75 -30.45 66.96 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.734 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 15.3 t80 -63.75 -46.76 83.87 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.451 0.643 . . . . 0.0 109.83 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -59.96 -47.2 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.243 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -66.35 -44.89 82.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.263 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -46.25 82.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.111 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.347 178.358 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 CA--C 1.515 -0.373 0 CA-C-O 121.433 0.635 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.605 ' HG3' HD22 ' A' ' 28' ' ' LEU . 7.3 mm-40 -116.56 156.02 27.68 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.909 -176.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 7.0 mp -109.5 143.78 38.68 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.149 0.499 . . . . 0.0 110.809 172.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 20' ' ' VAL . 21.8 m -60.89 129.45 90.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.984 -176.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HG2' HG21 ' A' ' 76' ' ' VAL . 58.8 Cg_endo -70.81 -0.67 8.13 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.922 2.415 . . . . 0.0 112.242 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 72' ' ' LYS . 47.6 t -100.77 -69.88 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.703 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.509 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 20.8 p -82.21 -12.8 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.779 -174.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.71 40.64 93.96 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.12 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.505 ' HB2' ' NH1' ' A' ' 62' ' ' ARG . 2.7 t70 -137.89 166.92 22.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 26.1 mtmm -57.06 145.58 30.28 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.826 0.451 . . . . 0.0 111.417 -173.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 13' ' ' CYS . 20.3 m -90.43 164.11 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 111.405 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.8 t -100.99 -1.37 34.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.01 99.96 2.39 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.066 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' OH ' ' HD3' ' A' ' 103' ' ' ARG . 87.8 m-85 57.06 -151.61 0.41 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 122.376 0.27 . . . . 0.0 111.194 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.605 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 4.9 m-70 127.06 -29.48 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.639 1.976 . . . . 0.0 108.868 171.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.421 ' C ' ' H ' ' A' ' 27' ' ' LEU . 95.9 m-85 -138.62 -151.69 0.39 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.78 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 31.48 1.2 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.993 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.427 HD21 HG23 ' A' ' 76' ' ' VAL . 1.7 pp 176.55 -178.35 0.15 Allowed 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.605 HD22 ' HG3' ' A' ' 11' ' ' GLU . 6.6 mp -86.17 119.75 26.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.054 0.454 . . . . 0.0 110.808 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.605 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 30.9 p -128.11 172.61 10.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.156 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 25.5 p -111.13 -179.26 3.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 176.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -65.94 -27.38 68.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.707 0.289 . . . . 0.0 110.456 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.436 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 18.8 t -68.12 -39.48 82.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.299 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 74.3 m -67.69 -52.42 38.01 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.423 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -61.15 -37.86 84.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.829 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -62.62 -56.83 19.15 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.406 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -63.95 -38.62 91.76 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.655 0.264 . . . . 0.0 111.362 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.58 ' O ' HG22 ' A' ' 41' ' ' VAL . 15.0 t80 -58.53 -52.74 64.39 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . 23.9 mtpp -62.66 -39.65 94.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.313 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.577 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 33.9 mmt180 -49.94 -50.39 46.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.769 0.318 . . . . 0.0 110.835 176.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 m -65.66 -57.99 6.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.722 HG21 HG21 ' A' ' 83' ' ' VAL . 16.2 m -65.01 -45.36 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -79.05 -35.93 41.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.017 0.437 . . . . 0.0 111.933 -172.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.577 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -81.88 -4.69 57.14 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 61.62 40.42 13.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.964 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -92.73 158.04 16.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.791 -174.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -129.59 95.82 4.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.611 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -82.77 160.64 22.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.411 -176.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -143.44 -175.74 4.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.219 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.584 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 53.7 t -135.24 146.89 49.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.7 p -90.09 -18.37 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.494 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -91.51 -93.08 0.14 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.165 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 12.7 p -122.81 -2.6 8.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.898 -173.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.584 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 78.5 mt-30 72.32 -38.42 0.42 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.225 0.61 . . . . 0.0 111.738 -176.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.2 m -101.85 72.45 1.35 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.351 0.596 . . . . 0.0 109.404 173.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 56.8 m -100.21 170.71 8.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.739 -177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -89.97 143.61 26.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.133 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.69 107.21 21.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.32 0.581 . . . . 0.0 110.186 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -124.36 179.85 4.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.013 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -56.69 -36.24 69.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.055 0.455 . . . . 0.0 110.823 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.1 p -84.23 -28.01 27.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.04 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -103.97 -8.86 19.31 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.509 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 34.7 ptt180 -71.57 -20.39 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.814 0.34 . . . . 0.0 111.153 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -97.12 -6.4 35.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.012 0.434 . . . . 0.0 110.617 173.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.516 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 67.8 mtp180 -90.94 -62.63 1.41 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.732 -174.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.627 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 77.1 m -94.11 103.15 9.79 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -176.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 56.6 Cg_endo -74.53 -42.67 0.58 Allowed 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.168 1.912 . . . . 0.0 111.819 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.31 -46.39 90.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 0.0 110.295 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.627 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 25.6 m -63.37 -39.59 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' HD2' ' O ' ' A' ' 62' ' ' ARG . 61.8 ttt180 -66.48 -40.62 89.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.759 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.6 -50.78 71.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.063 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -59.09 -41.87 89.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.323 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.642 ' HB3' HG13 ' A' ' 15' ' ' VAL . 22.2 tptp -53.23 -44.45 68.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.778 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.88 -56.56 20.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.611 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.88 -29.18 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.524 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -65.8 -50.03 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 111.518 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.427 HG23 HD21 ' A' ' 27' ' ' LEU . 33.3 m -71.47 -22.08 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.658 -174.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.43 5.46 2.93 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.216 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 85.4 mtp -71.0 109.59 5.19 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.457 ' HB3' ' OE1' ' A' ' 81' ' ' GLU . 31.5 mmt180 -76.13 135.29 39.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.72 -173.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.549 ' O ' HG12 ' A' ' 83' ' ' VAL . 24.7 tp -72.13 -34.18 68.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.678 -176.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.457 ' OE1' ' HB3' ' A' ' 79' ' ' ARG . 1.2 pm0 -76.05 6.49 5.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.624 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB3' ' HD2' ' A' ' 25' ' ' TYR . . . -85.83 -2.76 58.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.059 0.457 . . . . 0.0 110.587 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.722 HG21 HG21 ' A' ' 41' ' ' VAL . 12.6 p -102.11 142.33 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.902 175.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.499 ' HD3' ' HB3' ' A' ' 88' ' ' MET . 65.6 mtt180 -108.87 122.12 46.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -176.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.7 -21.8 32.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.123 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 13.3 m-20 -74.85 -73.35 0.25 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.454 ' HG3' ' HG3' ' A' ' 89' ' ' ARG . 4.5 tpp180 -179.75 -91.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.894 170.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.499 ' HB3' ' HD3' ' A' ' 84' ' ' ARG . 53.8 tpp 45.82 86.7 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.526 0.517 . . . . 0.0 110.582 -172.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.454 ' HG3' ' HG3' ' A' ' 87' ' ' ARG . 67.1 mtp180 -76.31 61.13 1.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.63 -172.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.39 -177.63 17.87 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.45 175.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.25 165.33 19.72 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.314 -0.469 . . . . 0.0 113.3 174.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.442 ' HD3' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -108.13 175.58 5.43 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' OD1' ' HG3' ' A' ' 94' ' ' LYS . 25.2 t-20 -164.14 -70.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.922 0.391 . . . . 0.0 110.347 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HG3' ' OD1' ' A' ' 93' ' ' ASN . 54.7 mttp -84.13 -35.15 23.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.593 0.711 . . . . 0.0 109.88 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.454 ' HB3' ' HD2' ' A' ' 99' ' ' TYR . 71.5 m-85 -87.59 52.2 2.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.426 -178.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.04 -72.08 1.16 Allowed Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.427 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.12 -47.67 19.2 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.179 2.586 . . . . 0.0 112.885 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -63.93 -29.06 70.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.631 0.253 . . . . 0.0 111.351 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.473 ' OH ' ' HB3' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -69.89 -55.97 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.377 -178.275 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -64.73 -30.36 71.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.672 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -63.19 -47.94 80.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.095 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.08 -44.3 97.57 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.749 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.61 ' HD3' ' OH ' ' A' ' 23' ' ' TYR . 15.4 tpt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.09 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.191 0.519 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.539 ' O ' HG22 ' A' ' 20' ' ' VAL . 47.9 mt-10 -140.63 158.61 43.72 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.49 138.99 33.25 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.284 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 49.5 t -62.74 118.31 40.4 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.905 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.4 -11.52 23.2 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.889 2.393 . . . . 0.0 112.599 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.48 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 95.0 t -85.9 -66.01 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.966 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.52 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 25.9 p -91.59 -14.19 30.68 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -171.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.18 43.48 47.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.941 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.555 ' HB2' ' NH1' ' A' ' 62' ' ' ARG . 2.5 t70 -141.43 160.25 40.52 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -57.14 135.46 56.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.834 0.349 . . . . 0.0 111.556 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.61 HG11 ' HB3' ' A' ' 28' ' ' LEU . 35.1 m -80.57 146.52 7.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 p -91.18 -13.2 33.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.254 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.17 -159.81 33.28 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.686 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -108.1 113.44 26.58 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.486 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 76.1 m-70 -132.56 152.67 51.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.693 -176.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 65.74 -82.96 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.66 0.6 . . . . 0.0 111.272 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.87 19.71 0.43 Allowed Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.777 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.6 173.29 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.0 111.102 -175.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.61 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.7 mm? -72.63 117.78 14.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.761 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.486 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -138.75 153.31 48.45 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.541 -173.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.8 p -97.74 162.99 13.0 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.457 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -61.63 -33.11 73.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.952 0.406 . . . . 0.0 110.747 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.3 t -55.78 -52.96 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.928 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.6 m -63.78 -50.41 69.12 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -174.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -67.15 -23.18 65.76 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.115 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.36 -50.59 49.29 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.397 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -69.86 -40.77 75.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.612 0.244 . . . . 0.0 110.594 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -53.29 -55.03 27.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.663 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -71.42 -31.12 66.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.876 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -62.71 -41.74 99.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.599 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.5 m -65.45 -48.71 71.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.419 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.64 HG11 HG11 ' A' ' 83' ' ' VAL . 54.8 t -61.67 -51.24 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.048 -179.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -59.34 -40.83 87.58 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.444 ' CB ' ' HG3' ' A' ' 45' ' ' LYS . 51.3 m-80 -83.97 -3.5 58.03 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.702 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 59.48 31.42 21.01 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.374 0.607 . . . . 0.0 109.543 -176.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' HG3' ' CB ' ' A' ' 43' ' ' ASN . 85.4 mttt -70.16 111.59 5.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.473 -174.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -102.51 89.48 3.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.609 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.495 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 94.4 m-85 -72.41 165.66 24.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.75 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -139.93 146.36 39.09 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.4 t -114.56 16.18 17.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.921 0.391 . . . . 0.0 110.655 -173.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.452 HG22 ' HG3' ' A' ' 51' ' ' GLU . 28.1 m 65.36 -76.27 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.534 -173.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HG3' HG22 ' A' ' 50' ' ' THR . 45.2 mt-10 -131.54 171.85 12.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 p 47.46 72.39 0.26 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.543 0.687 . . . . 0.0 110.496 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -66.2 -19.54 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.106 -174.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.1 p -113.89 79.59 1.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.794 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.1 m -81.05 167.28 19.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.56 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -75.23 110.81 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.141 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.2 mm -80.6 103.76 8.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.902 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -111.15 175.45 5.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.837 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -59.3 -26.49 65.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.388 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.6 p -88.97 -50.21 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.585 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -80.91 -0.29 38.54 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -171.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.555 ' NH1' ' HB2' ' A' ' 18' ' ' ASP . 30.3 ptt180 -73.1 -14.35 61.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.042 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -96.67 -6.86 35.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.893 0.378 . . . . 0.0 110.684 170.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.544 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 12.3 mtp180 -92.31 -54.02 3.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.758 -174.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.46 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 85.1 m -105.49 100.22 25.16 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.766 0.317 . . . . 0.0 111.587 -177.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 16.9 Cg_exo -68.12 -49.76 0.92 Allowed 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.726 2.284 . . . . 0.0 111.783 178.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 90.3 t80 -62.34 -42.89 99.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.747 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 56.7 m -64.88 -35.57 81.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.73 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -72.46 -34.1 67.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.058 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -64.04 -49.68 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.206 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 68' ' ' CYS . 5.0 pp0? -67.7 -29.05 68.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.01 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.48 ' HG3' ' HA ' ' A' ' 15' ' ' VAL . 42.4 tptt -60.34 -45.83 92.08 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.497 173.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 75.0 m -59.57 -41.7 90.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.257 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.33 -38.68 81.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.118 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.2 m -55.26 -46.38 76.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.956 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.6 m -77.5 -15.89 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.075 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.73 30.05 4.74 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 119.945 -1.121 . . . . 0.0 114.065 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 66.0 mtp -73.56 106.14 5.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 172.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -66.41 126.08 27.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.327 -169.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.19 -22.87 65.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.194 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.415 ' HB2' ' HZ ' ' A' ' 95' ' ' PHE . 16.6 mt-10 -65.12 -23.42 67.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.022 177.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.92 -34.07 39.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.276 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.64 HG11 HG11 ' A' ' 41' ' ' VAL . 2.8 p -78.97 97.22 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 110.218 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -92.73 104.67 16.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.798 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.64 -1.0 9.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.426 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -83.08 9.91 9.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.247 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 71.5 17.87 5.59 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.659 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 79.2 mmm -83.7 104.47 13.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.441 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -85.79 58.31 4.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.268 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.09 -176.55 31.14 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.448 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.1 69.72 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -83.22 85.07 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -135.57 -73.87 0.45 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -65.75 -31.44 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.187 0.517 . . . . 0.0 110.614 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.415 ' HZ ' ' HB2' ' A' ' 81' ' ' GLU . 50.1 m-85 -85.83 -6.13 59.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.615 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.91 -68.17 1.41 Allowed Glycine 0 C--N 1.331 0.291 0 O-C-N 123.487 0.492 . . . . 0.0 113.365 -175.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -53.1 -53.23 7.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.74 2.293 . . . . 0.0 113.235 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.2 ptm -62.59 -37.7 87.25 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -70.28 -49.23 51.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.968 0.414 . . . . 0.0 110.041 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -59.55 -42.83 93.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.201 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -66.25 -48.75 69.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.953 -176.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.12 -47.75 84.81 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.045 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.374 179.33 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 CA--C 1.518 -0.285 0 CA-C-O 121.271 0.558 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -128.75 151.37 49.63 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.358 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.1 mt -107.85 135.2 49.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.08 0.467 . . . . 0.0 110.948 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.67 114.99 18.28 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.355 176.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.645 ' HB2' HG11 ' A' ' 76' ' ' VAL . 24.1 Cg_endo -61.13 -14.65 34.82 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.013 2.475 . . . . 0.0 112.856 -174.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.577 HG11 ' SG ' ' A' ' 73' ' ' CYS . 61.7 t -85.11 -61.68 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.048 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.868 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 28.2 p -96.17 -16.7 21.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -170.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.87 60.34 4.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.686 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.498 ' OD1' ' HG2' ' A' ' 19' ' ' LYS . 1.8 t0 -159.78 -170.32 2.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HG2' ' OD1' ' A' ' 18' ' ' ASP . 35.8 mmtm -57.47 163.29 2.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.046 0.45 . . . . 0.0 111.64 -176.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.3 m -127.93 155.55 39.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.746 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.5 m -92.33 -5.19 52.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.297 0.57 . . . . 0.0 109.905 176.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' LEU . . . 118.46 -156.94 15.44 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.444 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -70.57 106.13 3.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.203 0.525 . . . . 0.0 111.004 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.477 ' HB3' ' OG1' ' A' ' 29' ' ' THR . 82.0 t60 -136.45 112.86 9.95 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.147 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 71.46 20.67 4.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.644 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.65 -15.17 63.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.177 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.3 mt -114.59 161.24 18.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.725 0.298 . . . . 0.0 110.903 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? -80.3 94.1 6.04 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 171.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.761 HG21 ' SD ' ' A' ' 78' ' ' MET . 44.5 p -126.16 160.25 30.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.838 0.352 . . . . 0.0 110.929 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.23 172.42 6.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.086 -174.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.725 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -65.03 -36.84 85.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.261 -178.314 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 m -60.95 -42.53 98.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.111 0.481 . . . . 0.0 110.867 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.8 m -75.83 -42.67 49.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.222 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.725 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 58.6 pttt -62.04 -36.02 80.34 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.152 178.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' A' ' 39' ' ' ARG . . . -63.68 -55.18 26.51 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.495 177.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.465 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 72.3 t80 -59.56 -38.52 81.32 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 111.286 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -59.45 -52.29 66.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.521 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' HG2' HG13 ' A' ' 83' ' ' VAL . 7.4 mtmp? -65.79 -38.39 88.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.74 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 86.8 mtt180 -55.89 -44.95 78.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -66.62 -51.24 58.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.9 -49.67 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.92 -176.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -70.9 -29.58 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -87.88 1.89 52.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 59.55 39.52 21.48 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.61 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -91.37 150.27 21.35 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.666 -174.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -145.26 94.21 2.49 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.917 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -70.81 169.44 14.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.083 -174.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 p -119.41 171.27 8.45 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.943 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 38.3 t -121.32 -49.59 2.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.653 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 m 72.29 -43.85 0.57 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.899 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.93 -54.95 38.77 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 12.6 t -163.06 -27.9 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 52' ' ' SER . 72.9 mt-30 77.64 -47.59 0.48 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.586 0.754 . . . . 0.0 111.27 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.9 t -87.94 67.98 9.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.471 0.653 . . . . 0.0 109.359 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.8 m -93.15 155.55 17.4 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.581 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -83.38 83.76 7.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.84 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.678 HD11 ' HB2' ' A' ' 68' ' ' CYS . 51.0 mm -64.13 99.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.254 0.55 . . . . 0.0 110.863 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -125.73 -161.71 1.06 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.285 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 59' ' ' LYS . 39.4 ttmt -58.21 -34.69 70.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.953 0.158 . . . . 0.0 111.377 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 77.7 p -88.85 -50.01 6.46 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -78.28 -11.0 59.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -172.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.868 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 29.2 ptt180 -63.16 -25.26 68.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 111.371 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 60' ' ' THR . 14.8 ptmm? -96.78 -9.17 29.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.253 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -84.49 -33.55 23.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.826 0.346 . . . . 0.0 111.248 -175.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 72.3 m -132.75 101.56 14.09 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.128 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.42 -40.47 57.38 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.571 2.181 . . . . 0.0 111.497 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -59.56 -51.21 70.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.574 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.678 ' HB2' HD11 ' A' ' 57' ' ' ILE . 57.4 m -65.41 -35.19 80.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.939 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 73.6 ttt180 -68.74 -38.12 79.92 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.977 0.417 . . . . 0.0 110.437 177.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.522 ' O ' HD13 ' A' ' 74' ' ' LEU . 64.6 t80 -63.45 -53.49 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.875 176.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -61.95 -27.28 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.552 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HD3' ' HB ' ' A' ' 57' ' ' ILE . 21.1 tptm -63.49 -43.87 96.02 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.158 176.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.589 ' HB3' ' HG3' ' A' ' 78' ' ' MET . 61.2 m -59.16 -48.53 81.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.479 0.656 . . . . 0.0 109.784 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 70' ' ' PHE . 9.1 mp -62.03 -40.31 95.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.879 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -54.58 -49.34 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.967 0.413 . . . . 0.0 110.821 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.645 HG11 ' HB2' ' A' ' 14' ' ' PRO . 35.5 m -78.55 -6.05 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.04 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.58 41.55 4.73 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.411 -0.899 . . . . 0.0 113.906 170.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.761 ' SD ' HG21 ' A' ' 29' ' ' THR . 26.1 mmm -67.27 137.3 56.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.893 0.378 . . . . 0.0 110.161 170.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -73.99 115.17 13.14 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.796 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.502 HD21 ' HG ' ' A' ' 74' ' ' LEU . 4.5 mm? -72.64 -30.49 64.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.46 176.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.552 ' HG2' ' HZ ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -82.84 -12.82 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.899 -177.57 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.42 -19.8 52.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.163 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.45 HG13 ' HG2' ' A' ' 38' ' ' LYS . 47.7 t -57.13 109.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.352 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 5.4 mmp_? -78.21 77.83 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.196 0.522 . . . . 0.0 110.864 -178.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.51 -3.01 38.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.014 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -79.6 1.74 24.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.336 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 66.64 17.66 10.64 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.957 0.884 . . . . 0.0 110.12 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 90.4 mtp -98.48 117.78 33.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.776 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -79.87 59.77 3.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.64 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.17 -119.23 0.78 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.311 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.1 26.42 34.14 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.516 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -77.37 86.52 3.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.855 -177.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -157.1 -38.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.819 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -59.25 -44.48 92.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.352 0.596 . . . . 0.0 110.394 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.552 ' HZ ' ' HG2' ' A' ' 81' ' ' GLU . 46.3 m-85 -101.21 11.78 38.74 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.327 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.511 ' O ' ' HG2' ' A' ' 100' ' ' LYS . . . -55.94 -51.47 55.22 Favored Glycine 0 CA--C 1.524 0.623 0 CA-C-N 115.478 -0.783 . . . . 0.0 113.396 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.71 -51.05 11.3 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.653 2.235 . . . . 0.0 112.733 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 25.3 ptm -70.87 -30.43 66.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.007 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -56.36 22.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 111.066 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 96' ' ' GLY . 7.0 ptpp? -68.34 -39.14 81.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -178.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 101' ' ' ARG . 11.8 ttm180 -65.71 -56.41 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.414 -176.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -33.82 74.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -176.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 103' ' ' ARG . 11.7 ttm180 . . . . . 0 C--N 1.332 -0.156 0 C-N-CA 120.567 -0.453 . . . . 0.0 109.842 176.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -73.23 155.84 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.771 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.9 mt -112.94 143.86 43.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.028 0.442 . . . . 0.0 110.772 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 t -69.06 110.66 6.51 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 174.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.9 11.87 0.29 Allowed 'Trans proline' 0 N--CA 1.476 0.481 0 C-N-CA 123.428 2.752 . . . . 0.0 114.422 -168.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.557 HG13 ' H ' ' A' ' 16' ' ' CYS . 2.9 p -112.28 -62.62 2.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.024 0.44 . . . . 0.0 111.133 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.557 ' H ' HG13 ' A' ' 15' ' ' VAL . 20.1 p -91.79 -20.4 21.55 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.444 -174.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.06 26.07 35.39 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.143 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -96.23 161.65 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -72.01 139.51 48.59 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.3 m -73.63 151.84 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.093 0.473 . . . . 0.0 111.831 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.5 t -108.95 -14.28 14.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.16 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.39 -177.77 33.22 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.546 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -78.78 120.11 22.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.718 0.295 . . . . 0.0 110.941 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.5 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 61.4 m-70 -136.75 118.49 15.06 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.47 ' CE1' HG12 ' A' ' 83' ' ' VAL . 42.4 m-85 67.24 28.93 7.9 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.171 176.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.02 -23.69 35.0 Favored Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.665 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mt -112.29 147.94 35.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.905 0.383 . . . . 0.0 111.643 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.33 114.54 12.82 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 171.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.5 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 20.7 p -136.12 167.34 21.44 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.743 -174.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 p -92.19 157.5 16.67 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.887 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -58.86 -28.2 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.195 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -54.28 30.21 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.117 175.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.5 m -78.9 -32.37 45.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.039 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 31.7 ttpt -54.99 -51.2 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.048 0.452 . . . . 0.0 110.095 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.48 -47.53 83.1 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.418 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.01 -42.57 94.58 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.678 0.275 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.62 ' O ' HG22 ' A' ' 41' ' ' VAL . 12.1 t80 -61.04 -49.35 77.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.001 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 7.6 mtmp? -58.1 -46.45 85.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 O-C-N 123.231 0.332 . . . . 0.0 110.937 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -54.01 -43.4 70.03 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.993 0.425 . . . . 0.0 110.564 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.4 m -70.34 -57.13 5.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.705 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.776 HG21 HG11 ' A' ' 83' ' ' VAL . 17.3 m -68.69 -43.15 83.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -172.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.14 -39.84 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.691 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 46.0 m-80 -93.92 -3.35 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.328 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 59.3 38.3 23.21 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.699 0.761 . . . . 0.0 109.957 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.691 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 28.6 mtpp -68.41 125.87 27.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.602 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -107.92 111.07 22.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.114 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.606 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 71.8 m-85 -85.82 172.09 11.04 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.7 m -141.55 122.76 14.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.278 0.561 . . . . 0.0 111.382 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.43 -44.31 2.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.625 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 p 53.86 173.51 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.116 0.967 . . . . 0.0 112.911 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 65.7 -59.57 0.29 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.689 0.796 . . . . 0.0 111.524 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 m -139.27 92.4 2.58 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -67.83 -14.47 62.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.053 0.454 . . . . 0.0 110.526 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -110.64 83.96 1.85 Allowed 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.365 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 82.8 m -94.35 165.64 12.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.123 175.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HB2' ' NZ ' ' A' ' 56' ' ' LYS . 9.7 mtmp? -73.9 101.09 3.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.723 -178.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.577 HD11 ' HB2' ' A' ' 68' ' ' CYS . 47.0 mm -76.02 113.35 14.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.576 0.703 . . . . 0.0 110.094 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -140.53 -176.94 4.82 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.548 ' HA ' ' HD2' ' A' ' 62' ' ' ARG . 37.3 mtpt -74.69 -16.03 60.77 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.617 0.722 . . . . 0.0 109.362 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.4 p -79.9 -49.97 11.15 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.436 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.434 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 44.3 mt-30 -96.95 18.53 14.48 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -175.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.548 ' HD2' ' HA ' ' A' ' 59' ' ' LYS . 11.1 ptm85 -64.4 -39.47 93.92 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.601 0.239 . . . . 0.0 111.6 -177.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -95.61 -18.49 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HB2' ' HA ' ' A' ' 61' ' ' GLN . 76.3 mtp180 -71.21 -36.79 72.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.295 -174.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.449 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 83.2 m -126.81 84.32 63.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 120.797 0.332 . . . . 0.0 111.035 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.05 -38.41 28.46 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.581 2.187 . . . . 0.0 111.383 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.606 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 74.4 t80 -65.25 -47.67 75.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.391 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.577 ' HB2' HD11 ' A' ' 57' ' ' ILE . 43.3 m -64.26 -35.54 81.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.07 -46.24 90.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.933 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -61.73 -45.16 95.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.271 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -56.54 -37.83 71.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.265 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.903 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 14.0 ttmt -75.56 -27.62 58.69 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.268 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 84.1 m -57.07 -45.55 83.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 173.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.681 ' HG ' HD21 ' A' ' 80' ' ' LEU . 7.2 mp -72.63 -32.66 66.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 174.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.903 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 2.9 m -54.65 -47.95 72.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.694 175.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.6 m -80.03 -30.39 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.377 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.47 34.98 0.68 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.321 -0.943 . . . . 0.0 114.086 171.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 87.5 mtp -78.74 121.65 25.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.327 0.563 . . . . 0.0 109.537 175.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -68.37 125.4 26.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.39 -172.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.681 HD21 ' HG ' ' A' ' 74' ' ' LEU . 3.4 mm? -75.36 -46.41 33.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.282 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -77.33 3.03 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.489 -176.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.39 -29.44 33.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.725 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.776 HG11 HG21 ' A' ' 41' ' ' VAL . 19.2 m -71.94 144.11 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-O 121.177 0.513 . . . . 0.0 110.879 -178.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 91' ' ' GLY . 56.9 mtt180 -115.21 89.36 3.08 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.297 175.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.68 -16.31 25.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.252 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.24 -1.13 11.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.571 175.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? 66.44 85.47 0.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.833 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 57.5 tpp -142.57 121.43 12.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.231 176.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -80.92 60.0 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.237 0.541 . . . . 0.0 111.31 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.72 -127.95 2.01 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 84' ' ' ARG . . . 73.9 48.51 16.1 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.282 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -85.81 87.49 7.41 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -120.08 -62.42 1.48 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.334 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.846 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.13 -42.05 98.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.105 -175.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.641 ' O ' ' HG2' ' A' ' 98' ' ' MET . 67.0 m-85 -120.33 19.09 12.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.54 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.58 -60.36 7.52 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.432 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.74 -32.12 82.91 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 123.211 2.607 . . . . 0.0 114.17 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.641 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 25.5 ptm -64.21 -29.01 70.14 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.59 0.233 . . . . 0.0 111.24 -174.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -60.89 -54.79 40.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.166 0.508 . . . . 0.0 111.122 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -71.88 -20.76 61.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.637 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 98' ' ' MET . 35.2 ttp180 -61.87 -55.48 29.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -34.57 72.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.811 178.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 3.6 mmp_? . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.749 174.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 N--CA 1.463 0.204 0 CA-C-O 120.999 0.428 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.603 ' HG2' HD22 ' A' ' 28' ' ' LEU . 32.3 mp0 -92.19 145.17 24.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.184 0.516 . . . . 0.0 110.582 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -136.74 155.42 49.87 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.41 110.46 5.3 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.418 ' HG2' HG21 ' A' ' 76' ' ' VAL . 61.1 Cg_endo -74.19 12.65 0.98 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.996 2.464 . . . . 0.0 112.823 -173.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.5 t -104.09 -57.51 4.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.48 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HA ' HG22 ' A' ' 57' ' ' ILE . 14.2 p -111.07 -12.9 14.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -173.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.41 27.79 35.09 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.735 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -97.21 170.24 9.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.561 -0.376 . . . . 0.0 110.158 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 37.9 mtmm -72.37 150.32 43.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.688 0.28 . . . . 0.0 110.268 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.2 m -78.03 148.19 6.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.117 0.484 . . . . 0.0 111.345 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -106.99 7.17 29.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.284 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.16 -178.24 17.02 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.968 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.96 118.56 6.41 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.569 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 7.9 m-70 -134.48 112.45 10.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.504 0.192 . . . . 0.0 110.974 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 74.35 -54.0 0.68 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.638 0.775 . . . . 0.0 112.03 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.9 -39.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.31 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.867 HD22 HG13 ' A' ' 76' ' ' VAL . 5.9 mp -118.45 174.8 6.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD22 ' HG2' ' A' ' 11' ' ' GLU . 6.1 mp -81.62 105.6 12.9 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 171.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 60.8 p -121.21 171.21 8.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.153 -176.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 11.5 p -94.55 156.47 16.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.622 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 55.1 mm-40 -57.32 -26.86 61.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.728 174.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 m -59.28 -47.69 84.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.755 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 89.0 m -82.53 -35.2 27.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 33.4 tttm -56.66 -46.02 81.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.968 0.413 . . . . 0.0 110.739 173.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.13 72.45 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.122 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -57.37 -43.78 83.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.942 0.401 . . . . 0.0 110.992 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.588 ' O ' HG22 ' A' ' 41' ' ' VAL . 51.5 t80 -59.15 -51.53 69.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.134 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' A' ' 38' ' ' LYS . 16.2 mtpp -59.15 -44.12 92.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.831 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -54.84 -43.07 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 110.588 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.8 m -69.92 -55.45 9.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.601 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.702 HG21 HG21 ' A' ' 83' ' ' VAL . 13.8 m -63.08 -43.16 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 10.4 mm-40 -70.24 -24.7 63.12 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -174.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.665 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 56.6 m-80 -107.16 2.5 24.85 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.817 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 59.84 40.1 19.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.334 0.588 . . . . 0.0 109.625 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.665 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 27.7 mtpp -76.47 110.1 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.29 -173.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -103.72 110.83 23.07 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.732 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 60.1 m-85 -88.56 -175.0 4.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.737 -175.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -142.74 159.16 42.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.291 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.687 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 42.3 t -145.86 152.83 40.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.1 p -89.87 178.59 6.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.53 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 64.35 -87.12 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.76 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.5 p -145.79 5.63 1.03 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.35 -176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.687 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 68.0 mt-30 68.38 3.76 3.91 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.319 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -91.24 70.25 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.422 0.63 . . . . 0.0 110.586 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 38.7 m -108.24 163.84 12.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.148 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.555 ' N ' ' HD3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -107.91 143.32 36.71 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.696 HG13 ' HA ' ' A' ' 69' ' ' ARG . 43.8 mm -101.81 121.1 52.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.195 0.521 . . . . 0.0 110.473 -177.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.514 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 17.9 t70 -135.5 -177.03 4.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.936 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -54.12 -43.75 70.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.356 0.598 . . . . 0.0 110.848 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 t -86.42 -24.96 25.5 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.336 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.514 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 45.5 mt-30 -95.48 4.3 53.38 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.157 -0.34 . . . . 0.0 111.895 -174.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -72.67 -28.6 62.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.418 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -95.6 -8.21 35.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.646 0.26 . . . . 0.0 111.449 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.538 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 72.2 mtp180 -79.16 -63.4 1.43 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -174.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.458 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 80.6 m -108.9 94.64 15.02 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.78 0.324 . . . . 0.0 110.856 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 18.9 Cg_exo -66.66 -35.08 30.03 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.595 2.197 . . . . 0.0 111.501 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.732 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 61.9 t80 -68.57 -46.09 70.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.457 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 53.8 m -62.57 -38.54 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.154 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.696 ' HA ' HG13 ' A' ' 57' ' ' ILE . 66.7 ttt180 -68.44 -41.25 80.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.709 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.34 -47.59 85.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.184 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -63.39 -36.75 84.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.527 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -61.51 -40.85 96.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.438 177.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 71.0 m -61.65 -48.46 80.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.037 0.446 . . . . 0.0 110.235 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.573 ' HA ' ' O ' ' A' ' 78' ' ' MET . 71.9 mt -64.4 -48.61 74.75 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.737 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.0 m -50.53 -44.13 56.25 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.731 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.867 HG13 HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -65.41 -26.96 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.038 -176.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.466 ' HA3' HD11 ' A' ' 27' ' ' LEU . . . 134.79 -0.9 3.81 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.584 -1.294 . . . . 0.0 113.41 177.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.573 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 88.2 mtp -77.29 120.87 22.92 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.524 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 22.7 mmt180 -94.4 149.74 20.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.842 0.353 . . . . 0.0 111.125 -173.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.62 -36.77 76.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.397 0.618 . . . . 0.0 110.294 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -82.81 5.24 22.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.19 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 79' ' ' ARG . . . -88.86 -20.04 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.702 HG21 HG21 ' A' ' 41' ' ' VAL . 2.4 p -93.77 118.97 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.132 0.492 . . . . 0.0 110.836 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 88' ' ' MET . 28.1 tpt180 -70.59 105.11 3.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.946 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.36 -26.16 35.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.591 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.51 ' HB3' ' NE ' ' A' ' 84' ' ' ARG . 5.2 t70 -51.67 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.599 177.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 171.89 -37.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.634 0.374 . . . . 0.0 110.24 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.52 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 85.5 mmm -52.86 120.02 5.29 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.955 -177.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -79.95 59.71 3.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.015 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.56 113.39 3.65 Favored Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.886 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.648 ' O ' ' HD2' ' A' ' 92' ' ' ARG . . . -50.44 -49.28 39.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.351 -0.452 . . . . 0.0 112.139 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.648 ' HD2' ' O ' ' A' ' 91' ' ' GLY . 19.8 mmm180 -123.38 129.56 51.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -104.32 -70.79 0.76 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.414 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -113.43 -40.77 3.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.125 0.488 . . . . 0.0 110.393 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 81.5 m-85 -84.62 54.39 3.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.791 -173.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.468 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -76.78 -59.79 3.12 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.872 177.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 9.3 Cg_endo -52.53 -52.68 8.35 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.169 2.579 . . . . 0.0 113.548 -177.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.8 ptm -60.54 -29.92 69.43 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.851 0.358 . . . . 0.0 111.102 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 1.1 t80 -71.07 -48.84 50.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.545 0.688 . . . . 0.0 109.611 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -62.81 -41.95 99.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.656 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -63.68 -45.52 89.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.277 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.77 -46.97 87.28 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.236 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.826 179.417 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.96 157.66 31.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.771 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.6 mt -98.45 144.42 27.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.195 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.1 m -65.42 127.36 92.88 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.095 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.55 -3.59 12.18 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.355 2.036 . . . . 0.0 111.947 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.8 t -93.79 -65.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.746 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.5 p -94.92 -28.64 15.08 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -173.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.64 18.25 33.28 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.67 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -119.3 166.25 13.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.295 0.548 . . . . 0.0 110.528 176.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 19' ' ' LYS . 10.2 mtpm? -51.61 129.56 26.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.305 0.574 . . . . 0.0 112.414 -175.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -69.14 152.81 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.818 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.406 ' H ' ' HA ' ' A' ' 30' ' ' CYS . 20.1 m -98.15 5.57 48.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.401 0.62 . . . . 0.0 109.784 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.68 -172.15 15.72 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.88 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB3' ' OH ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -71.9 128.55 36.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 177.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.48 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 24.0 m-70 -136.72 -104.38 0.2 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.695 0.283 . . . . 0.0 111.261 176.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.412 ' HD1' ' HB3' ' A' ' 24' ' ' HIS . 3.9 m-85 -83.72 81.93 8.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.855 0.36 . . . . 0.0 111.109 -174.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.55 -18.17 30.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.386 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.483 HD21 HG23 ' A' ' 76' ' ' VAL . 2.4 pt? -164.81 -171.08 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.022 0.411 . . . . 0.0 110.564 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 mp -76.78 119.55 20.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.183 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.48 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 2.0 p -144.89 154.35 42.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.938 -178.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.406 ' HA ' ' H ' ' A' ' 21' ' ' SER . 30.0 p -88.83 173.47 8.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.851 0.358 . . . . 0.0 110.29 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.47 -29.78 70.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.215 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -66.2 -38.79 88.85 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.677 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.6 m -60.95 -58.72 7.26 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.628 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 25' ' ' TYR . 19.4 pttp -71.33 -21.57 62.03 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.132 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.18 -58.42 11.76 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.811 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -68.42 -41.03 80.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.653 0.264 . . . . 0.0 111.001 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -56.12 -52.47 64.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.232 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.644 ' HA ' HG22 ' A' ' 41' ' ' VAL . 51.2 pttt -73.88 -34.42 64.45 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.917 -176.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -53.01 -44.2 67.12 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.252 0.549 . . . . 0.0 110.431 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.1 m -67.42 -53.98 24.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.441 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.644 HG22 ' HA ' ' A' ' 38' ' ' LYS . 15.9 m -64.34 -43.44 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.51 ' OE1' ' HA ' ' A' ' 85' ' ' ALA . 17.5 mm-40 -63.45 -23.78 67.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.345 . . . . 0.0 111.723 -176.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -106.54 7.61 30.91 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.63 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 59.4 31.53 21.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.426 176.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -81.98 136.15 35.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.796 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -127.04 122.76 35.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.828 174.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.403 ' CG ' ' HB2' ' A' ' 66' ' ' PRO . 89.9 m-85 -98.15 158.42 15.56 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.145 -178.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.9 m -126.21 123.57 38.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.523 ' SG ' ' HG3' ' A' ' 53' ' ' GLN . 18.2 t -115.36 4.14 14.32 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 175.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 44.9 m 72.64 109.02 0.07 Allowed 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.702 -178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 50' ' ' THR . 10.2 mm-40 68.59 -170.21 0.18 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.266 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 17.6 m -73.99 -32.59 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.43 -177.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.629 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 14.6 mm100 73.15 -53.15 0.7 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 172.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 m 61.67 29.59 18.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.344 0.403 . . . . 0.0 110.701 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 53' ' ' GLN . 60.3 m -57.78 139.67 53.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.542 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.94 107.18 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.149 0.499 . . . . 0.0 111.032 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.41 HD11 ' HB2' ' A' ' 68' ' ' CYS . 24.1 mm -77.37 116.6 21.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.745 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 15.4 t70 -143.62 -163.4 1.65 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.619 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 33.5 mtmm -70.3 -23.65 62.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.166 0.508 . . . . 0.0 110.177 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.6 p -81.48 -50.54 9.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.509 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -102.36 8.79 40.16 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -170.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.619 ' NE ' ' HA ' ' A' ' 59' ' ' LYS . 11.1 ptp180 -53.67 -42.67 68.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -7.68 33.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.669 0.271 . . . . 0.0 111.48 -176.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -74.93 -43.13 55.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.431 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.57 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 68.3 m -119.69 91.49 44.98 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.011 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HB2' ' CG ' ' A' ' 47' ' ' TYR . 32.1 Cg_exo -59.39 -41.7 55.76 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.614 2.21 . . . . 0.0 111.722 176.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -47.0 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 40.5 m -67.43 -37.69 83.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.556 -178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -66.77 -37.3 84.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.322 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.37 -56.73 18.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.113 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -58.66 -35.49 72.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -58.24 -43.41 87.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.573 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 66.2 m -60.38 -51.11 70.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.233 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.618 ' HA ' ' O ' ' A' ' 78' ' ' MET . 7.6 mp -61.55 -30.15 70.47 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.637 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.0 m -65.12 -49.42 70.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.782 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.483 HG23 HD21 ' A' ' 27' ' ' LEU . 34.3 m -73.32 -18.29 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -171.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.84 -12.21 2.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.054 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.618 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 77.5 mtp -69.34 113.08 6.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -107.71 164.75 11.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.162 0.506 . . . . 0.0 111.832 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.63 -21.99 54.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.99 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.52 -17.65 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.138 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.73 2.02 53.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.666 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 41' ' ' VAL . 41.6 t -101.03 111.82 31.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 84' ' ' ARG . 57.3 mtt180 -80.32 89.27 5.53 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.514 174.228 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.51 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . . . -56.54 -21.76 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.457 171.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.02 -25.85 23.36 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.196 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 65.92 89.3 0.1 Allowed 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.554 0.742 . . . . 0.0 110.726 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 75.8 mmm -98.45 -175.98 3.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.009 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -115.55 17.36 16.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.347 173.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.12 -160.95 28.13 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.478 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.93 133.94 7.42 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.992 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -66.72 150.57 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.41 152.72 43.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.264 -175.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.26 -21.8 66.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.722 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.456 ' HB3' ' SD ' ' A' ' 98' ' ' MET . 11.3 m-30 -79.58 38.77 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.815 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.54 -53.93 22.94 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.587 -0.563 . . . . 0.0 113.975 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.24 -54.96 4.33 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.786 2.324 . . . . 0.0 113.589 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.456 ' SD ' ' HB3' ' A' ' 95' ' ' PHE . 4.8 ppp? -69.7 -29.46 66.87 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.813 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.568 ' OH ' ' HB3' ' A' ' 23' ' ' TYR . 67.3 t80 -67.62 -44.23 78.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.129 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -63.95 -44.61 92.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.72 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.74 -45.72 81.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.89 -44.98 91.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 0.0 110.104 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.401 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 54.2 ttp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.605 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 121.438 0.637 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -94.8 161.62 14.1 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.107 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -117.03 150.38 38.72 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.4 m -60.41 128.98 88.75 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.24 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HB2' HG21 ' A' ' 76' ' ' VAL . 73.7 Cg_endo -71.7 12.3 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 123.371 2.714 . . . . 0.0 113.096 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.661 HG13 ' H ' ' A' ' 16' ' ' CYS . 2.4 p -131.93 -69.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.583 176.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.661 ' H ' HG13 ' A' ' 15' ' ' VAL . 29.9 p -77.91 -18.41 56.15 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -176.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.26 9.74 86.22 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.826 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.41 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 10.4 m-20 -78.31 158.74 28.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.676 0.274 . . . . 0.0 111.033 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -63.24 134.08 55.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.925 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.96 143.0 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.24 0.543 . . . . 0.0 111.551 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 t -105.34 25.63 10.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.86 175.51 19.92 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.305 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CD2' ' HD3' ' A' ' 103' ' ' ARG . 80.1 t80 -80.26 117.12 20.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.483 ' HA ' ' OH ' ' A' ' 99' ' ' TYR . 93.8 m-70 -143.68 135.89 26.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.95 -176.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 24' ' ' HIS . 3.4 m-85 75.31 -35.12 0.27 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.457 0.703 . . . . 0.0 112.681 172.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.02 -26.2 0.17 Allowed Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 111.805 -0.518 . . . . 0.0 111.805 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -127.4 -175.26 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 mp -93.47 119.45 32.56 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 171.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 33' ' ' CYS . 20.1 p -137.55 158.23 44.82 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -173.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.4 p -83.82 178.44 7.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.986 0.422 . . . . 0.0 111.229 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -63.61 -38.31 90.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.086 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -36.29 83.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.267 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.492 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 98.0 m -62.45 -53.31 56.68 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.658 0.266 . . . . 0.0 110.476 176.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -59.67 -44.17 93.7 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.995 0.426 . . . . 0.0 110.803 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -63.87 -55.83 22.3 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.53 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.406 ' CD2' ' HD2' ' A' ' 69' ' ' ARG . 92.7 t80 -62.79 -37.57 87.19 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.497 0.189 . . . . 0.0 111.222 -177.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 41' ' ' VAL . 32.3 t80 -58.41 -53.3 59.85 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.693 ' HG2' HG13 ' A' ' 83' ' ' VAL . 26.1 mtmm -64.79 -41.58 95.73 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.531 -0.467 . . . . 0.0 111.411 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 36.2 mmt180 -49.48 -44.66 46.14 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.928 0.394 . . . . 0.0 111.418 177.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.1 m -71.04 -48.15 54.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.24 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.64 ' HB ' HG11 ' A' ' 83' ' ' VAL . 20.8 t -70.38 -41.89 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.755 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -58.47 -40.82 83.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.173 0.511 . . . . 0.0 110.729 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.412 ' CB ' ' HE2' ' A' ' 45' ' ' LYS . 4.3 m-20 -90.28 -0.65 57.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.728 -177.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 p30 44.2 43.28 5.69 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.729 0.812 . . . . 0.0 111.293 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HE2' ' CB ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -99.27 162.14 13.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.051 -176.085 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -129.28 147.85 51.15 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.656 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 83.5 m-85 -107.48 156.23 19.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.084 0.468 . . . . 0.0 111.557 -173.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.0 m -105.11 129.08 53.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.839 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.5 t -98.0 -52.88 3.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.777 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.9 m 72.56 -38.33 0.42 Allowed 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.59 0.556 . . . . 0.0 112.286 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.85 -56.02 23.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.734 0.302 . . . . 0.0 111.617 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 28.3 t -168.25 -26.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.833 -175.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 52' ' ' SER . 89.3 mt-30 76.22 -42.4 0.44 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.344 0.658 . . . . 0.0 110.687 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -85.35 31.64 0.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.299 177.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.9 m -68.41 158.8 32.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.123 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -91.77 109.34 20.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.155 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 68' ' ' CYS . 43.2 mm -84.59 112.64 22.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.624 176.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 2.2 p-10 -127.5 -168.04 1.83 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.284 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.57 -29.21 70.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.535 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 57.4 p -90.29 -50.84 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.415 ' HG2' ' NH1' ' A' ' 64' ' ' ARG . 65.5 mt-30 -83.25 5.95 21.25 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.501 ' HA ' HG23 ' A' ' 57' ' ' ILE . 14.7 ptt180 -53.13 -36.91 61.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.081 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.742 ' HA ' HH21 ' A' ' 69' ' ' ARG . 0.1 OUTLIER -95.55 -6.37 40.57 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -175.4 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.415 ' NH1' ' HG2' ' A' ' 61' ' ' GLN . 97.1 mtt180 -81.66 -38.77 25.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.447 -174.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.452 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 81.7 m -119.26 95.44 49.3 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.794 0.33 . . . . 0.0 111.293 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 26.7 Cg_endo -64.6 -37.72 35.82 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.472 2.114 . . . . 0.0 111.235 175.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.656 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 87.6 t80 -61.01 -53.64 54.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.523 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.548 ' HB2' HD11 ' A' ' 57' ' ' ILE . 34.1 m -64.15 -33.73 76.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.921 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.742 HH21 ' HA ' ' A' ' 63' ' ' LYS . 28.6 ttm180 -63.56 -52.18 62.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.135 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.43 -44.36 97.26 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.935 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -60.89 -39.08 87.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.916 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.908 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 55.7 tttt -72.44 -27.91 62.62 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 121.111 -0.235 . . . . 0.0 111.494 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 74.7 m -59.98 -46.99 87.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.741 HD21 HD13 ' A' ' 80' ' ' LEU . 28.6 mt -70.24 -39.53 74.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.09 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.908 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 3.1 m -50.52 -51.96 42.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.911 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -70.73 -17.99 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.734 -176.801 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.43 25.56 6.28 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 119.872 -1.156 . . . . 0.0 113.548 174.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.0 mmm -75.01 118.43 17.96 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -59.92 118.97 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.741 HD13 HD21 ' A' ' 74' ' ' LEU . 17.5 tp -69.06 -33.42 73.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.477 0.656 . . . . 0.0 109.891 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.34 -5.29 10.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.743 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HA ' HD22 ' A' ' 93' ' ' ASN . . . -79.68 3.3 19.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.14 0.495 . . . . 0.0 110.713 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.693 HG13 ' HG2' ' A' ' 38' ' ' LYS . 58.7 t -102.21 98.76 7.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.447 175.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.531 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -80.01 71.59 6.73 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.509 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.32 -4.16 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.402 -171.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -89.58 15.57 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.47 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 65.28 70.36 0.46 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.404 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.496 ' HB3' ' HG2' ' A' ' 84' ' ' ARG . 13.7 tpt -147.71 121.47 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.444 174.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -92.27 60.91 3.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.366 0.603 . . . . 0.0 111.718 -173.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.06 127.13 7.93 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.051 177.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -66.1 -26.8 72.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.41 -0.424 . . . . 0.0 113.252 -176.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -130.66 118.7 21.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.313 0.578 . . . . 0.0 111.28 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.586 HD22 ' HA ' ' A' ' 82' ' ' ALA . 54.7 m-20 -80.57 -162.34 0.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.649 173.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.439 ' HE2' ' CA ' ' A' ' 94' ' ' LYS . 10.3 mmpt? -67.68 -24.6 65.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.357 . . . . 0.0 111.418 -172.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -89.46 16.6 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.1 0.476 . . . . 0.0 110.434 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.54 -50.74 47.11 Favored Glycine 0 CA--C 1.526 0.739 0 CA-C-N 115.712 -0.677 . . . . 0.0 114.155 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 73.8 Cg_exo -52.43 -56.36 2.95 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.545 2.163 . . . . 0.0 113.19 177.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.8 ptm -64.61 -33.33 75.67 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.818 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 24' ' ' HIS . 60.9 t80 -60.23 -47.07 87.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.255 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -66.9 -38.58 86.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.924 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 97' ' ' PRO . 22.0 mtm180 -61.02 -51.79 67.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.776 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.82 -43.23 98.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.649 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.454 ' HD3' ' CD2' ' A' ' 23' ' ' TYR . 28.9 tpt180 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.639 ' HG3' ' HG ' ' A' ' 28' ' ' LEU . 61.5 mm-40 -141.13 162.54 35.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.324 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.8 mt -132.4 148.99 52.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.148 172.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.6 t -68.37 117.05 46.0 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.12 -8.01 21.54 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.904 2.403 . . . . 0.0 112.625 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -87.25 -55.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.209 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.49 -16.21 11.94 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -170.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.16 23.47 48.37 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.597 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -102.95 -172.17 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 73.5 mmtt -72.52 172.42 10.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.517 HG11 ' HB3' ' A' ' 28' ' ' LEU . 16.4 m -112.91 160.28 12.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.028 0.442 . . . . 0.0 111.1 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 t -109.62 10.56 24.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.425 0.631 . . . . 0.0 109.532 179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.61 -171.93 14.0 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.803 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -80.77 105.7 12.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.976 0.417 . . . . 0.0 109.966 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.523 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 94.5 m-70 -134.73 130.93 36.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.613 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 65.93 15.72 10.18 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.967 173.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.8 -11.55 27.5 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.466 176.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.23 175.05 9.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.072 0.436 . . . . 0.0 111.086 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.639 ' HG ' ' HG3' ' A' ' 11' ' ' GLU . 3.2 mm? -81.58 102.81 10.87 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 172.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 17.2 p -126.34 152.63 45.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.275 -174.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.535 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 1.6 p -96.42 159.66 14.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.161 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.708 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 12.6 tp10 -73.27 -6.84 48.64 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -177.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.3 p -74.87 -45.4 43.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.185 0.517 . . . . 0.0 109.693 173.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.2 m -77.58 -40.6 41.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.909 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.708 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 49.4 tttm -63.22 -33.01 74.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.676 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.56 ' HA2' ' NZ ' ' A' ' 38' ' ' LYS . . . -63.15 -53.33 40.81 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -59.07 -47.04 86.68 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.657 0.269 . . . . 0.0 110.473 176.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.474 ' O ' HG22 ' A' ' 41' ' ' VAL . 42.8 t80 -53.96 -52.43 60.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.087 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.706 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 32.3 mtmm -62.36 -50.63 70.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.77 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 39' ' ' ARG . 9.1 mmt180 -58.9 -30.39 67.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 111.398 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.951 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 73.5 m -70.63 -54.53 11.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.987 177.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.813 HG21 HG21 ' A' ' 83' ' ' VAL . 12.0 m -65.07 -39.75 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 38' ' ' LYS . 59.1 mt-30 -55.64 -42.21 74.65 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.616 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.605 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 48.3 m-80 -97.98 -0.23 45.15 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.886 -176.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 62.78 33.08 15.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.181 0.515 . . . . 0.0 109.864 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.951 ' HE2' ' HA ' ' A' ' 40' ' ' THR . 44.2 mtmt -66.38 126.48 28.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.869 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -135.18 120.36 18.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -114.2 177.97 4.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 p -138.58 151.57 47.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.883 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 49.7 t -108.85 -27.79 9.54 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.027 -177.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.746 HG22 ' HG3' ' A' ' 51' ' ' GLU . 54.2 m 70.45 146.23 0.06 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.142 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.746 ' HG3' HG22 ' A' ' 50' ' ' THR . 38.6 mt-10 76.48 -91.68 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.837 0.855 . . . . 0.0 111.618 175.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 54' ' ' SER . 33.6 t -90.16 -55.52 3.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.54 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 27.3 mt-30 70.72 -17.38 0.29 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.615 0.766 . . . . 0.0 112.222 177.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 52' ' ' SER . 21.5 t -93.64 70.58 4.19 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.1 m -96.13 149.07 22.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.154 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -80.2 153.39 28.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.11 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.492 HG13 ' HA ' ' A' ' 69' ' ' ARG . 49.1 mm -115.45 110.87 33.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.04 0.448 . . . . 0.0 110.727 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -129.55 -166.32 1.64 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.68 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -54.64 -38.86 67.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.113 0.482 . . . . 0.0 111.268 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.2 p -89.46 -49.51 6.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.091 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -78.56 -2.45 38.91 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.424 ' HA ' HG23 ' A' ' 57' ' ' ILE . 34.8 ptt180 -67.72 -30.93 70.55 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.405 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -95.98 -8.86 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.668 0.271 . . . . 0.0 111.34 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -85.06 -38.9 18.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.671 0.272 . . . . 0.0 111.662 -174.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.497 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 68.8 m -122.98 95.03 46.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.882 0.372 . . . . 0.0 111.524 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 26.6 Cg_endo -64.13 -45.73 9.46 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.502 2.135 . . . . 0.0 111.946 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.04 -48.97 79.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.757 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 34.8 m -63.17 -35.59 80.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.646 -178.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.492 ' HA ' HG13 ' A' ' 57' ' ' ILE . 74.8 ttt180 -70.89 -40.88 71.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.869 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -61.48 -49.07 78.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.156 0.503 . . . . 0.0 109.979 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -64.65 -33.37 75.78 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.528 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -59.8 -46.02 90.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.342 . . . . 0.0 110.371 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.501 ' O ' HG22 ' A' ' 76' ' ' VAL . 64.2 m -59.64 -44.37 93.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.241 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -71.21 -31.29 67.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.313 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.2 m -58.6 -49.49 77.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.802 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 73' ' ' CYS . 16.4 m -67.24 -18.62 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.329 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.16 21.95 7.1 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.174 -1.013 . . . . 0.0 113.071 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 73' ' ' CYS . 85.7 mtp -65.96 109.8 2.67 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -58.25 109.92 0.85 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.783 -173.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 tp -71.41 -31.76 67.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.704 178.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.731 ' HG3' ' HZ ' ' A' ' 95' ' ' PHE . 10.6 pt-20 -78.13 -2.28 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.424 177.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.92 -38.73 19.03 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.851 0.358 . . . . 0.0 110.693 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.813 HG21 HG21 ' A' ' 41' ' ' VAL . 4.0 p -78.49 113.89 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 121.692 0.758 . . . . 0.0 110.676 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -104.05 103.29 13.09 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.186 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 42' ' ' GLN . . . -76.01 1.48 15.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.175 -170.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.63 -82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.047 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 11.1 tpt180 -172.96 31.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.506 0.67 . . . . 0.0 109.644 172.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 71.7 mmm -96.73 105.08 17.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.056 0.455 . . . . 0.0 110.589 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -80.75 59.86 3.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.462 -175.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.1 -128.09 5.91 Favored Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.993 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.58 62.55 1.14 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -81.17 86.14 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -136.93 -56.6 0.72 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.037 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -61.82 -34.13 75.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.107 0.479 . . . . 0.0 110.758 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.731 ' HZ ' ' HG3' ' A' ' 81' ' ' GLU . 72.2 m-85 -100.79 11.13 40.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.723 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.449 ' O ' ' HG2' ' A' ' 100' ' ' LYS . . . -50.62 -64.22 3.85 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 116.065 -0.516 . . . . 0.0 113.465 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.63 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 36.1 Cg_exo -58.23 -48.26 16.57 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.748 2.298 . . . . 0.0 113.387 -177.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -71.64 -34.31 69.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -69.6 -48.12 61.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 0.0 110.357 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.63 ' HE2' ' HA ' ' A' ' 97' ' ' PRO . 62.8 pttt -68.15 -33.94 75.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.501 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -64.71 -57.18 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.766 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -41.58 90.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.388 . . . . 0.0 110.916 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.033 -179.682 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 N--CA 1.461 0.117 0 CA-C-O 121.079 0.466 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HG3' HD22 ' A' ' 28' ' ' LEU . 26.1 mm-40 -68.51 145.04 54.39 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.303 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.5 mt -111.36 147.14 35.81 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.751 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -71.85 114.56 29.8 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.884 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.78 7.46 1.97 Allowed 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.639 2.226 . . . . 0.0 113.042 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.5 t -95.7 -62.11 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.036 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.8 p -99.66 -16.11 18.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.006 -174.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.43 0.13 82.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.194 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.98 -177.26 6.34 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB3' ' HE2' ' A' ' 19' ' ' LYS . 45.6 mtpt -82.08 156.17 24.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.702 0.287 . . . . 0.0 110.438 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.8 m -93.37 158.78 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.503 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 p -108.04 -7.48 16.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.331 0.586 . . . . 0.0 109.917 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.26 -172.18 29.35 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.98 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -80.61 112.67 18.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.926 0.393 . . . . 0.0 110.023 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.577 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 50.6 m-70 -130.49 140.53 50.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 24' ' ' HIS . 42.3 m-85 69.37 -79.39 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.567 0.542 . . . . 0.0 111.277 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.21 21.06 0.56 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.537 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -175.68 -175.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.479 HD22 ' HG3' ' A' ' 11' ' ' GLU . 7.0 mp -81.63 118.99 23.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.326 0.584 . . . . 0.0 110.243 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 1.7 p -138.54 -171.38 3.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.872 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.5 p -131.01 156.14 45.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.32 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.639 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 3.6 mp0 -57.23 -23.41 47.79 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.978 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.9 t -61.18 -57.06 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.68 0.276 . . . . 0.0 110.366 177.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.0 m -71.7 -39.87 69.91 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.639 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 74.9 tttt -47.15 -56.07 7.3 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.563 0.697 . . . . 0.0 111.154 173.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.13 -42.89 66.04 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.557 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -60.52 -44.13 96.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.781 0.324 . . . . 0.0 110.571 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.512 ' O ' HG22 ' A' ' 41' ' ' VAL . 13.2 t80 -58.18 -49.71 76.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.228 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' NZ ' ' HG2' ' A' ' 34' ' ' LYS . 26.2 mtmm -62.94 -44.67 95.42 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.445 177.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.6 mtm-85 -64.95 -18.0 64.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.653 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 51.0 m -85.61 -49.1 8.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.861 0.362 . . . . 0.0 110.622 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.695 HG21 HG11 ' A' ' 83' ' ' VAL . 14.5 m -70.51 -39.97 76.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -56.27 -40.44 74.24 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.677 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 89.8 m-20 -92.3 4.67 52.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.683 -175.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 60.99 33.72 19.63 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.236 0.541 . . . . 0.0 110.091 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.677 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 55.2 mtpt -73.38 120.55 19.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.318 -174.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -120.88 151.69 39.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.544 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.723 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 79.0 m-85 -139.77 170.61 15.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.235 0.54 . . . . 0.0 111.372 -175.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.9 m -144.95 95.13 2.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.709 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.712 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 39.0 t -73.5 -14.9 61.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.428 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.619 HG22 ' HG3' ' A' ' 51' ' ' GLU . 14.3 m 75.39 145.91 0.09 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.705 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.619 ' HG3' HG22 ' A' ' 50' ' ' THR . 41.1 mt-10 70.96 -85.4 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.904 174.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.7 p -93.62 -33.5 13.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.685 0.279 . . . . 0.0 110.831 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.712 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 53.2 mt-30 64.67 9.75 5.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.798 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -151.56 85.72 1.32 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.42 0.629 . . . . 0.0 110.289 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.6 m -87.62 176.42 7.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.751 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -71.14 101.85 2.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.691 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 68' ' ' CYS . 37.9 mm -75.58 95.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -130.38 -171.87 2.66 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.31 -0.859 . . . . 0.0 108.995 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -56.52 -33.72 66.33 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 122.61 0.364 . . . . 0.0 111.721 -176.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.4 p -89.01 -25.78 21.81 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -115.24 -0.11 13.34 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -170.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -66.84 -31.07 71.45 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -176.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -95.82 -11.28 27.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.604 0.24 . . . . 0.0 111.275 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.407 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 81.9 mtt180 -84.65 -37.18 21.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.581 -174.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.4 m -113.99 93.39 29.62 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.788 0.327 . . . . 0.0 111.27 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 20.3 Cg_exo -66.05 -44.23 7.73 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.604 2.202 . . . . 0.0 111.757 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.723 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 32.1 t80 -64.83 -46.46 81.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.953 0.406 . . . . 0.0 110.586 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.537 ' HB2' HD11 ' A' ' 57' ' ' ILE . 55.9 m -61.08 -36.0 78.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.749 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -74.93 -37.25 62.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.514 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -58.28 -53.91 52.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.161 0.505 . . . . 0.0 109.696 174.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -58.96 -34.3 71.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.365 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.512 ' O ' ' HB ' ' A' ' 75' ' ' THR . 0.0 OUTLIER -65.72 -37.5 86.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 178.477 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 84.8 m -60.06 -50.5 73.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.66 -38.64 85.53 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.93 175.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 53.7 m -51.99 -52.33 51.25 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.834 178.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.4 m -75.79 -28.92 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.092 -171.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.13 10.26 1.16 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 119.973 -1.108 . . . . 0.0 113.434 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 75.7 mtp -81.81 109.19 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -89.18 147.05 24.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.376 -169.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 mt -71.64 -37.29 70.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.727 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HB2' ' HZ1' ' A' ' 94' ' ' LYS . 10.6 pt-20 -77.28 2.74 14.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.985 178.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.34 4.26 41.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.314 0.578 . . . . 0.0 109.622 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.695 HG11 HG21 ' A' ' 41' ' ' VAL . 90.7 t -90.11 114.5 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.97 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.486 ' HD3' ' HA ' ' A' ' 88' ' ' MET . 32.6 ttm180 -84.63 86.36 7.32 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.937 170.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.18 -2.02 57.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.098 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.91 -71.26 0.48 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.43 141.6 0.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.943 175.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.486 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . 10.8 tpt -66.92 91.84 0.21 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.052 0.453 . . . . 0.0 109.926 174.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -146.17 -46.03 0.2 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.042 -175.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -92.6 -178.6 40.99 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.635 -175.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.91 157.25 43.21 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.445 -0.407 . . . . 0.0 112.819 -176.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -88.0 87.91 7.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.88 0.371 . . . . 0.0 110.342 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -86.46 -49.05 7.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.526 ' HZ3' ' HB3' ' A' ' 94' ' ' LYS . 7.6 mtpm? -57.51 -65.37 0.64 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.32 -174.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -97.66 51.69 1.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.321 0.582 . . . . 0.0 110.578 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.98 -73.39 1.19 Allowed Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.121 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.407 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 47.1 Cg_exo -58.08 -56.26 1.74 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.489 2.792 . . . . 0.0 113.384 -177.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 23.6 ptm -57.84 -31.75 66.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.901 0.381 . . . . 0.0 110.887 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -72.83 -51.35 19.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.835 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 97' ' ' PRO . 19.7 ptpt -59.63 -40.94 89.26 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.559 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.7 -56.66 10.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.91 -42.73 90.35 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.013 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.637 179.895 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 CA--C 1.517 -0.311 0 CA-C-O 121.286 0.565 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' HG22 ' A' ' 20' ' ' VAL . 31.2 mt-10 -105.32 149.9 25.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.306 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 17' ' ' GLY . 5.7 mp -111.5 159.89 17.66 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.427 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.454 ' HB2' ' H ' ' A' ' 17' ' ' GLY . 75.2 m -62.99 131.37 94.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.812 -175.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -70.08 -4.6 14.58 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.959 2.439 . . . . 0.0 112.386 176.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.685 HG13 ' H ' ' A' ' 16' ' ' CYS . 2.0 p -104.04 -74.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.624 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.685 ' H ' HG13 ' A' ' 15' ' ' VAL . 25.0 p -80.15 -53.54 6.59 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.538 -176.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.485 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 126.19 -1.02 7.7 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.238 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.446 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 21.4 m-20 -75.02 155.1 37.66 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.323 0.561 . . . . 0.0 109.88 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -63.81 136.79 57.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.303 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 11' ' ' GLU . 27.0 m -72.94 148.0 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.881 -173.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.6 t -108.29 -0.27 20.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.096 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' LEU . . . 135.34 -165.51 24.69 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.291 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -80.95 111.78 17.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.493 0.187 . . . . 0.0 110.575 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.74 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 38.1 m-70 -133.22 115.55 15.13 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.705 177.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CE1' HG22 ' A' ' 83' ' ' VAL . 59.5 m-85 71.42 1.19 3.75 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.867 0.729 . . . . 0.0 112.733 168.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.15 -60.11 0.19 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.987 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.47 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -146.95 -165.22 2.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.776 0.322 . . . . 0.0 111.14 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' HB3' HG11 ' A' ' 20' ' ' VAL . 31.5 mt -58.08 112.08 1.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.685 178.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.74 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 15.9 p -138.55 161.57 36.73 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.401 177.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 32.0 p -90.25 171.56 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 27.2 mm-40 -70.54 -18.81 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.127 178.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.491 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 19.9 t -69.5 -44.76 70.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.4 m -61.5 -51.56 68.15 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.214 0.53 . . . . 0.0 109.618 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 30.8 tttm -59.06 -46.24 88.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.673 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 39' ' ' ARG . . . -62.87 -48.73 78.53 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.346 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -64.19 -37.05 86.08 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.43 -45.04 94.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.263 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 42' ' ' GLN . 6.4 mtmp? -62.37 -45.16 94.4 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.226 176.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 96.1 mtt-85 -59.4 -34.03 71.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -178.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.7 m -78.63 -57.72 3.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.268 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.8 t -67.54 -46.69 82.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -173.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 39.6 mt-30 -67.38 -32.04 72.69 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -91.99 0.46 57.47 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.783 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 54.0 45.13 28.26 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.606 0.566 . . . . 0.0 110.73 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -77.59 155.93 31.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.71 -175.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -134.68 146.43 49.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.86 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -132.18 168.2 18.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.611 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.8 m -154.91 122.86 5.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.39 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.727 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 50.2 t -99.01 138.27 36.35 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.1 m -95.09 -13.61 24.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.125 0.488 . . . . 0.0 110.875 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.578 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 8.5 mm-40 -78.96 -81.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.58 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 54' ' ' SER . 9.3 t -142.96 16.73 1.94 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 -176.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.727 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 46.5 mt-30 70.37 -33.78 0.27 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.345 0.658 . . . . 0.0 111.94 -178.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 52' ' ' SER . 25.2 m -129.85 89.0 2.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.385 0.612 . . . . 0.0 109.765 175.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 51' ' ' GLU . 50.0 m -89.3 -175.36 4.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.796 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -63.85 141.2 58.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.932 175.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.8 mm -105.96 122.32 59.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.092 0.472 . . . . 0.0 109.96 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.562 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 24.1 t70 -150.78 179.57 8.1 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -174.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -58.25 -41.25 83.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.28 0.363 . . . . 0.0 111.096 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.1 t -88.6 -36.5 16.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.112 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.562 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 15.1 mm100 -64.29 -31.26 72.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.828 -175.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.483 ' HB2' ' HD2' ' A' ' 69' ' ' ARG . 37.4 ptt180 -68.63 -14.83 63.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.376 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -95.76 -41.66 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.061 0.458 . . . . 0.0 109.918 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -65.71 -42.73 90.77 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.078 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.611 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.9 m -120.38 81.07 30.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.982 178.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.45 -26.79 47.34 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.382 2.055 . . . . 0.0 111.249 176.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -65.2 -50.41 66.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.068 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.611 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 34.7 m -60.79 -41.25 95.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.207 0.527 . . . . 0.0 110.246 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HD2' ' HB2' ' A' ' 62' ' ' ARG . 74.4 ttt180 -60.85 -52.67 64.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.66 177.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -60.06 -45.91 91.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.956 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -56.72 -43.53 80.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.192 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.674 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 34.4 ttmt -72.08 -27.45 62.67 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.999 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.5 m -56.9 -51.06 70.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.82 -31.61 72.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.674 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 35.5 m -58.88 -48.32 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.861 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.53 -23.76 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.573 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.67 7.29 2.14 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.073 -1.06 . . . . 0.0 113.901 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.513 ' SD ' HG21 ' A' ' 29' ' ' THR . 85.1 mtp -75.69 135.89 40.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.397 0.599 . . . . 0.0 110.147 177.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -118.05 149.32 41.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.291 -176.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.6 mt -75.57 -30.68 59.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.416 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -56.79 -25.61 55.96 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.951 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.54 -25.95 62.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.069 0.462 . . . . 0.0 110.717 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.447 HG22 ' CE1' ' A' ' 25' ' ' TYR . 46.0 t -78.84 106.56 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.373 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.445 ' HE ' ' HA2' ' A' ' 91' ' ' GLY . 79.9 mtt-85 -86.27 82.23 8.09 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.29 -4.97 6.05 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -170.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.5 -89.87 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -163.12 27.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 17.0 mmt -89.43 114.7 26.2 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.324 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 89' ' ' ARG . 26.7 mtp180 -91.18 36.58 0.92 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.342 -170.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.87 104.87 0.24 Allowed Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.067 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.445 ' HA2' ' HE ' ' A' ' 84' ' ' ARG . . . -97.15 39.25 2.83 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.942 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 92' ' ' ARG . 37.9 mtp180 -86.0 178.15 7.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.6 -0.353 . . . . 0.0 110.746 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.4 t30 72.01 -52.56 0.7 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.017 0.927 . . . . 0.0 111.917 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -55.47 -48.98 73.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.931 0.396 . . . . 0.0 110.63 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.536 ' O ' ' HG2' ' A' ' 98' ' ' MET . 90.2 m-85 -117.72 13.77 14.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.319 0.581 . . . . 0.0 109.778 174.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.87 -47.85 58.44 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.287 -0.869 . . . . 0.0 114.097 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -51.62 -43.46 50.51 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.802 2.335 . . . . 0.0 113.482 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 28.5 ptm -73.86 -30.17 62.51 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.742 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -67.56 -47.8 68.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.964 0.411 . . . . 0.0 110.69 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.33 -31.44 67.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.001 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -67.5 -46.06 74.03 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.188 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.11 -38.73 92.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.204 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.5 tpp85 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.246 175.225 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' HG22 ' A' ' 20' ' ' VAL . 42.4 mt-10 -142.69 149.43 38.83 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.075 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.0 mp -121.0 155.87 33.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.901 -176.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.6 m -60.69 139.26 93.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.0 2.66 5.23 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.705 2.27 . . . . 0.0 112.568 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.696 HG13 ' H ' ' A' ' 16' ' ' CYS . 1.5 p -113.17 -76.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.468 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.696 ' H ' HG13 ' A' ' 15' ' ' VAL . 31.7 p -78.38 -31.67 48.53 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.559 -175.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 89.02 38.08 6.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.914 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.627 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 59.8 m-20 -110.34 157.58 19.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 117.022 0.411 . . . . 0.0 110.65 176.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 8.6 mmmt -51.69 120.04 4.82 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.756 0.66 . . . . 0.0 111.397 176.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 11' ' ' GLU . 3.8 m -62.61 135.85 26.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.869 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.5 t -98.95 -33.99 10.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.669 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.63 -170.56 38.22 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.769 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -77.32 108.78 10.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.732 0.301 . . . . 0.0 110.687 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.572 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 43.1 m-70 -132.77 122.3 24.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.739 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' HE1' ' HB ' ' A' ' 83' ' ' VAL . 92.4 m-85 69.78 -8.61 0.77 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.859 0.864 . . . . 0.0 113.235 169.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.1 -43.18 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.022 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -160.12 -168.31 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.722 0.261 . . . . 0.0 110.549 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.47 108.58 0.65 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.733 0.645 . . . . 0.0 111.266 174.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.572 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 7.1 p -136.58 164.18 28.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.961 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 18' ' ' ASP . 21.2 p -93.21 176.68 6.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.267 178.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -72.41 -19.8 61.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.485 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 1.2 m -60.54 -47.75 84.79 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.093 174.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.3 m -64.8 -53.13 51.77 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.713 176.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HG3' ' HE2' ' A' ' 25' ' ' TYR . 26.4 tttm -52.09 -48.73 64.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.113 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.77 -48.26 62.55 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.911 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -64.09 -40.36 96.06 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.018 0.437 . . . . 0.0 110.645 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 41' ' ' VAL . 23.9 t80 -57.94 -50.25 74.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.005 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -61.25 -44.17 97.68 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.729 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 75.1 mtp180 -58.95 -33.03 70.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 110.659 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.43 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 26.6 m -73.78 -60.72 2.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.972 178.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.718 HG21 HG21 ' A' ' 83' ' ' VAL . 15.7 m -63.71 -48.69 85.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -173.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.786 ' HG2' ' HA ' ' A' ' 85' ' ' ALA . 68.3 mt-30 -73.04 -33.71 65.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.408 . . . . 0.0 112.019 -172.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -84.19 2.48 39.54 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.007 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 58.26 42.58 21.56 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.536 0.684 . . . . 0.0 110.324 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 96.3 mttt -93.96 145.54 24.56 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.151 -176.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -137.26 130.11 30.39 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -105.48 176.59 5.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.861 0.362 . . . . 0.0 110.623 -175.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -137.25 -177.6 4.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.016 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 53' ' ' GLN . 52.7 t -122.87 156.63 34.23 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.151 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.412 HG23 ' HG3' ' A' ' 51' ' ' GLU . 14.7 t -109.58 3.65 21.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.229 0.538 . . . . 0.0 110.249 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.685 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 37.5 mt-10 -128.61 -145.45 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.026 -177.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 m -84.39 19.52 1.89 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 55.8 mt-30 74.09 -51.35 0.69 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.489 0.715 . . . . 0.0 112.143 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 p -88.06 70.19 9.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.743 0.782 . . . . 0.0 110.104 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.685 ' SG ' ' HB2' ' A' ' 51' ' ' GLU . 53.5 m -84.13 -176.65 6.36 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.719 -177.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 73.0 mmtt -91.78 116.22 28.71 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.972 174.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.59 103.23 9.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.429 0.633 . . . . 0.0 109.859 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.618 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -119.23 176.71 5.19 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.223 -179.223 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -62.98 -37.4 86.99 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.993 0.425 . . . . 0.0 110.814 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.4 t -88.94 -35.08 16.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.618 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 82.7 mm-40 -70.94 -24.3 62.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.693 0.282 . . . . 0.0 111.56 -175.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -70.25 -15.67 62.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -176.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -96.01 -11.43 26.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.831 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HD2' ' OE1' ' A' ' 61' ' ' GLN . 73.0 mtt180 -91.46 -43.29 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.278 0.561 . . . . 0.0 110.013 -177.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.681 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 65.5 m -116.15 84.05 13.39 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.205 175.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.99 -33.72 50.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.662 2.241 . . . . 0.0 111.611 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -64.38 -46.54 82.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.517 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 32.9 m -61.18 -38.85 87.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.188 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -62.3 -51.99 65.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.133 176.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 73' ' ' CYS . 84.3 t80 -59.72 -49.91 75.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.053 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -63.43 -31.33 72.46 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.897 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.537 ' O ' ' HB ' ' A' ' 75' ' ' THR . 39.2 ttmt -74.3 -27.97 60.96 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.577 175.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 83.3 m -57.94 -43.61 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.501 ' HA ' ' O ' ' A' ' 78' ' ' MET . 6.9 mp -66.84 -36.53 82.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.439 . . . . 0.0 110.272 174.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 28.3 m -55.42 -48.32 74.58 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.758 176.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.74 -17.98 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.71 -1.54 3.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 119.972 -1.109 . . . . 0.0 114.161 173.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 86.2 mtp -75.31 120.86 21.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.547 0.674 . . . . 0.0 110.389 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -109.54 158.0 18.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.117 0.484 . . . . 0.0 111.896 -175.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 74' ' ' LEU . 2.3 mm? -76.34 -21.1 56.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.324 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -70.62 -21.94 62.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.881 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.95 0.46 44.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.233 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.718 HG21 HG21 ' A' ' 41' ' ' VAL . 6.1 p -129.67 139.17 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.042 0.449 . . . . 0.0 110.284 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -122.79 135.32 54.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.572 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.786 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . . . -85.6 -22.73 27.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.301 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 61.5 m-20 -66.04 -88.04 0.01 OUTLIER 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.903 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 1.6 tpp180 175.86 99.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.984 174.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -150.34 107.87 3.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -108.78 26.47 10.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.765 -174.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.64 -23.85 77.19 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.467 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.04 -73.71 2.11 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.559 175.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -67.22 108.87 2.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.338 0.589 . . . . 0.0 111.061 -175.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -137.19 -141.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.485 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -48.53 -44.23 36.13 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -175.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.479 ' O ' ' HG2' ' A' ' 98' ' ' MET . 67.4 m-85 -91.8 5.49 49.68 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.607 -174.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.95 -51.78 38.42 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.222 -0.513 . . . . 0.0 113.23 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.52 -43.4 55.08 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.979 2.453 . . . . 0.0 113.643 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 25.1 ptm -71.86 -31.44 66.48 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.972 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -64.32 -53.3 50.96 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.808 0.337 . . . . 0.0 110.257 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -67.11 -32.46 73.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.46 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 101' ' ' ARG . 15.0 ttm180 -67.73 -53.82 24.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.325 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.05 -35.38 76.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.842 0.353 . . . . 0.0 110.188 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.631 178.425 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.318 0.58 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.57 133.48 48.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.964 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -131.19 154.51 48.32 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.323 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.43 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 35.5 t -68.21 115.93 34.11 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.712 175.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.6 -6.02 15.63 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.7 2.267 . . . . 0.0 112.533 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.489 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 84.6 t -80.07 -66.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.635 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 p -110.11 -22.39 11.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -170.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.74 11.94 42.23 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.889 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -77.67 167.08 22.16 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.757 0.278 . . . . 0.0 110.444 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -70.9 140.89 51.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.088 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 28' ' ' LEU . 27.0 m -68.68 147.19 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.323 0.582 . . . . 0.0 111.776 -177.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -113.3 15.65 19.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.458 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.11 -174.85 21.71 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.353 -0.839 . . . . 0.0 112.243 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -80.37 121.31 25.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -142.27 -64.89 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.982 0.42 . . . . 0.0 110.915 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.645 ' CE1' ' HG3' ' A' ' 34' ' ' LYS . 38.3 m-85 -100.29 71.61 1.58 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.134 0.492 . . . . 0.0 110.85 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.441 ' HA2' ' HE1' ' A' ' 98' ' ' MET . . . 86.4 -26.43 6.36 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.534 -0.757 . . . . 0.0 113.525 174.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD21 HG23 ' A' ' 76' ' ' VAL . 1.9 pt? -164.99 -161.69 0.57 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.976 0.388 . . . . 0.0 110.508 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' HB3' ' CG1' ' A' ' 20' ' ' VAL . 3.2 mm? -59.71 107.41 0.6 Allowed 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.73 174.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.583 HG21 ' HB2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -132.17 150.96 52.03 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.181 -175.148 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.6 p -104.58 155.18 19.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.85 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.596 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 16.7 tp10 -63.59 -22.39 66.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.202 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.1 p -68.89 -45.02 72.02 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.161 -0.337 . . . . 0.0 110.749 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.0 m -74.57 -35.5 63.05 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.195 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.645 ' HG3' ' CE1' ' A' ' 25' ' ' TYR . 60.4 tttt -57.3 -49.27 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.079 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.537 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -60.88 -48.57 85.61 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.161 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.16 -42.24 90.29 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 111.035 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.417 ' O ' HG23 ' A' ' 41' ' ' VAL . 13.0 t80 -62.15 -48.31 80.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.702 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 34' ' ' LYS . 17.9 mtpt -54.5 -48.9 71.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.963 175.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 18.7 mmm180 -56.16 -47.53 78.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.294 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.7 m -73.81 -55.51 6.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.944 -174.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 37' ' ' PHE . 21.9 t -68.04 -42.81 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -171.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.483 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 13.1 mm-40 -67.59 -35.73 79.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.977 0.418 . . . . 0.0 111.718 -175.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -88.65 11.13 18.29 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.098 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 p30 45.26 43.03 7.75 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 124.27 0.981 . . . . 0.0 110.182 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -87.61 158.61 18.83 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.192 -1.367 . . . . 0.0 111.771 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -145.14 118.04 8.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.308 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -90.56 173.15 8.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.965 0.412 . . . . 0.0 111.155 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.8 m -132.12 122.21 25.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.396 -178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.0 t -97.25 114.95 26.75 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 p -76.62 -8.85 58.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -88.4 -150.84 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.076 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.3 p -83.55 5.02 25.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.88 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 71.51 -48.27 0.67 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.549 0.74 . . . . 0.0 111.978 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -81.59 61.53 5.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.341 0.591 . . . . 0.0 110.138 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.7 m -89.69 167.29 13.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.977 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -89.61 127.42 35.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.045 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.1 mm -87.26 90.97 3.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.477 0.656 . . . . 0.0 109.775 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.528 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 15.5 t70 -102.2 178.95 4.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.352 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -58.78 -39.29 80.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.0 0.429 . . . . 0.0 110.644 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -89.65 -43.59 10.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.899 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.528 ' HG3' ' HB3' ' A' ' 58' ' ' ASP . 33.9 mt-30 -69.88 -15.97 63.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.241 -170.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -69.97 -10.18 57.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -95.25 -41.17 9.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 111.247 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -70.41 -31.55 68.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.299 -174.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.689 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 91.6 m -118.06 83.55 19.67 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.421 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.98 -38.0 13.92 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.25 1.967 . . . . 0.0 111.594 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -61.05 -39.4 89.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.242 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.689 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 49.3 m -70.33 -35.88 73.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.469 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -65.01 -38.85 92.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -58.62 -49.46 77.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.962 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -58.89 -42.42 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.523 177.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.489 ' HG3' ' HA ' ' A' ' 15' ' ' VAL . 19.7 tptm -59.25 -38.68 80.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.92 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.02 -56.15 24.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.283 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 78' ' ' MET . 8.8 mp -61.22 -24.37 66.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.55 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.8 m -66.3 -51.83 53.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.816 0.341 . . . . 0.0 111.352 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 HD21 ' A' ' 27' ' ' LEU . 26.0 m -72.14 -22.8 21.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.834 -172.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.42 0.46 2.37 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.125 -1.035 . . . . 0.0 113.23 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.511 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 74.8 mtp -74.59 111.53 9.88 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -96.88 163.03 13.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.8 mt -75.95 -36.6 59.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.93 -174.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -68.86 -7.1 31.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.716 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HA ' ' CE1' ' A' ' 95' ' ' PHE . . . -71.35 -19.24 62.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.112 0.482 . . . . 0.0 110.43 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -96.64 146.18 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.475 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 4.3 mmp_? -92.32 99.86 12.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.158 -0.339 . . . . 0.0 110.794 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.81 -11.67 29.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.23 0.538 . . . . 0.0 110.805 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.74 -9.28 56.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.854 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 68.3 16.89 9.3 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.765 0.793 . . . . 0.0 109.0 -175.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.9 tpt -94.08 118.23 31.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.881 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -67.63 -19.04 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.394 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.32 61.2 4.21 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.195 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.63 32.32 6.13 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.217 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 24.2 ttt85 -96.51 98.18 10.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.74 -0.23 . . . . 0.0 111.083 -176.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 92' ' ' ARG . 67.3 t30 176.94 -60.3 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.749 0.309 . . . . 0.0 111.552 174.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -52.3 -49.7 63.65 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.445 ' O ' ' HG3' ' A' ' 98' ' ' MET . 34.9 m-85 -95.37 11.55 32.32 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -173.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.92 -64.88 3.89 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.016 -0.611 . . . . 0.0 113.393 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.84 -39.28 83.0 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.929 2.42 . . . . 0.0 113.265 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.445 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 3.9 ppp? -64.33 -27.87 69.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.478 -176.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -51.94 -55.38 20.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.82 0.819 . . . . 0.0 110.497 173.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -67.4 -34.33 77.03 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.566 -178.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -63.16 -50.15 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.156 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.57 -42.57 92.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.816 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.378 176.858 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.527 0.68 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -102.53 150.64 23.19 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.16 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 12' ' ' LEU . 7.2 mp -100.01 141.17 33.19 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.988 0.423 . . . . 0.0 110.843 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.36 122.85 52.28 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.18 -10.91 30.27 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.21 2.606 . . . . 0.0 112.671 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.405 HG11 ' SG ' ' A' ' 73' ' ' CYS . 60.9 t -80.3 -33.36 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.254 177.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 p -139.16 -85.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.553 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.87 46.0 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.968 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -116.6 150.84 37.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -55.85 126.81 27.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.146 0.498 . . . . 0.0 109.916 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.653 HG11 ' HB3' ' A' ' 28' ' ' LEU . 35.3 m -64.35 147.98 12.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.281 -173.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.6 m -98.09 20.51 12.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.437 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.87 178.54 15.99 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.494 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -92.64 107.78 19.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.028 0.442 . . . . 0.0 110.182 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 5.8 p80 -154.56 149.62 26.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.476 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.456 ' CE1' ' HG3' ' A' ' 34' ' ' LYS . 63.9 m-85 70.11 15.28 7.66 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.795 0.684 . . . . 0.0 110.174 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.68 17.67 63.31 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.5 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.8 mt -155.18 162.05 41.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.239 0.542 . . . . 0.0 112.114 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.653 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.3 mm? -80.37 102.29 9.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 168.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.2 p -129.08 148.81 51.06 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 120.948 0.404 . . . . 0.0 111.129 -173.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.6 p -87.78 161.5 17.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.559 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -58.71 -32.32 69.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.856 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 m -57.03 -48.48 78.42 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.5 m -72.11 -38.73 69.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 25' ' ' TYR . 27.7 ttpt -59.6 -43.44 93.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 0.0 110.284 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.33 -50.82 62.78 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.418 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -65.42 -40.28 93.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.574 0.226 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 41' ' ' VAL . 22.2 t80 -58.38 -46.49 86.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.88 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -56.24 -58.15 9.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.564 176.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -56.86 -29.9 63.33 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 m -82.17 -55.99 4.2 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.488 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 37' ' ' PHE . 35.9 t -68.54 -37.6 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.485 -173.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.73 ' HG2' ' HA ' ' A' ' 85' ' ' ALA . 98.1 mt-30 -62.11 -21.63 65.15 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.665 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 50.3 m-80 -113.06 1.81 15.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.919 0.39 . . . . 0.0 110.145 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 60.05 35.25 21.38 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.89 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.665 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 87.2 mttt -73.67 120.84 19.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.276 -173.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -109.49 97.36 6.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.416 172.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.602 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 60.9 m-85 -72.62 174.28 7.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.473 -178.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.3 m -135.62 129.78 33.38 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.529 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.877 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 48.5 t -97.99 165.13 12.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.7 p -70.17 -64.31 0.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 0.0 112.235 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -86.33 -138.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.494 -174.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.3 m -66.59 0.05 2.52 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.91 0.484 . . . . 0.0 111.603 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.877 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 40.1 mt-30 68.7 8.57 6.82 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.012 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -108.52 78.59 1.17 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 40.1 m -103.5 174.01 6.05 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.751 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 56' ' ' LYS . 33.9 mtmm -84.08 142.01 30.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.793 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.5 mm -106.37 98.02 6.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.136 0.493 . . . . 0.0 110.539 -177.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -128.06 178.96 5.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.848 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 26.7 ttpp -53.71 -34.76 59.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.556 0.535 . . . . 0.0 112.425 -174.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 p -89.03 -50.1 6.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.108 0.411 . . . . 0.0 112.108 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.553 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 22.6 mt-30 -72.77 -16.2 61.64 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -171.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.553 ' O ' ' HD2' ' A' ' 69' ' ' ARG . 37.9 ptt180 -71.42 -5.47 33.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 111.075 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -95.44 -45.8 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.098 0.475 . . . . 0.0 110.344 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.553 ' HG2' ' HA ' ' A' ' 61' ' ' GLN . 9.1 ptm180 -75.63 -27.37 58.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.418 -176.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.5 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 93.1 m -114.86 81.12 7.13 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.296 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.49 -33.44 22.71 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.225 1.95 . . . . 0.0 111.443 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.602 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 80.2 t80 -64.19 -51.27 64.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.335 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 32.6 m -60.61 -40.89 93.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.236 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.553 ' HD2' ' O ' ' A' ' 62' ' ' ARG . 59.2 ttt180 -60.77 -46.87 88.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.791 178.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.24 -50.79 71.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.572 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 67' ' ' PHE . 86.0 mm-40 -59.57 -39.57 84.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -54.87 -46.42 74.74 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.296 0.238 . . . . 0.0 110.99 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.405 ' SG ' HG11 ' A' ' 15' ' ' VAL . 63.2 m -55.22 -50.09 70.31 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.57 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.499 HD21 HD21 ' A' ' 80' ' ' LEU . 8.4 mp -67.78 -32.42 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.379 . . . . 0.0 112.008 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.3 m -63.31 -44.09 95.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 0.0 111.303 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.2 m -74.94 -22.83 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.065 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.43 33.04 1.15 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.367 -0.92 . . . . 0.0 114.142 171.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.4 mtp -78.25 118.06 20.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.444 0.622 . . . . 0.0 109.617 174.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -73.37 120.01 18.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.252 -174.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.499 HD21 HD21 ' A' ' 74' ' ' LEU . 68.3 mt -59.65 -38.95 82.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.813 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.484 ' HG3' ' HZ ' ' A' ' 95' ' ' PHE . 10.3 pt-20 -76.33 6.87 4.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.927 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.05 2.72 46.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.048 0.451 . . . . 0.0 110.513 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.431 HG11 ' CG1' ' A' ' 41' ' ' VAL . 3.5 p -99.11 147.59 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.548 178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 84' ' ' ARG . 5.2 tpt180 -113.68 111.25 21.5 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.721 -0.391 . . . . 0.0 109.972 176.379 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.73 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . . . -85.73 -18.71 32.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.345 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 5.1 m-20 -57.27 -78.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.055 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 15.8 tpp85 169.49 -31.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.672 -176.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 92.6 mmm -52.88 126.12 19.24 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.382 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -96.64 3.79 52.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.899 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -127.85 127.69 5.84 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.276 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.45 45.72 0.19 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.21 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -88.74 86.73 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.999 0.428 . . . . 0.0 110.526 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -157.89 -52.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.691 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -56.51 -46.59 80.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.987 0.423 . . . . 0.0 111.733 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.484 ' HZ ' ' HG3' ' A' ' 81' ' ' GLU . 94.0 m-85 -91.66 8.48 36.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.666 -178.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.536 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -53.61 -53.87 33.41 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-O 119.525 -0.597 . . . . 0.0 113.633 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 10.0 Cg_endo -52.42 -46.73 31.11 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.068 2.512 . . . . 0.0 113.203 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.455 ' SD ' ' HD2' ' A' ' 95' ' ' PHE . 26.9 ptm -71.6 -35.2 70.42 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.547 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.428 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 7.8 m-85 -63.32 -54.38 38.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.026 0.441 . . . . 0.0 110.644 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -58.58 -52.23 66.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.763 -177.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -62.14 -51.07 69.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.532 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.05 -45.89 91.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.618 0.247 . . . . 0.0 111.123 -175.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 99' ' ' TYR . 60.6 mtm180 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.958 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.654 0.264 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -106.02 148.21 27.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.257 0.551 . . . . 0.0 110.72 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.8 mt -111.74 153.07 27.04 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.116 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.479 ' HB2' ' H ' ' A' ' 17' ' ' GLY . 38.2 m -66.03 137.25 95.79 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.344 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -67.27 -13.19 38.63 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.535 2.157 . . . . 0.0 112.439 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.619 ' HB ' ' HG3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -104.03 -81.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.627 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.568 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.6 p -69.65 -31.82 70.12 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.479 ' H ' ' HB2' ' A' ' 13' ' ' CYS . . . 93.45 14.44 53.53 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.314 177.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.497 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 67.5 m-20 -83.76 164.55 19.51 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 117.205 0.502 . . . . 0.0 111.106 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 13.1 mptt -65.22 127.9 33.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.979 176.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.424 HG11 ' HB3' ' A' ' 28' ' ' LEU . 21.3 m -76.35 136.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.249 0.547 . . . . 0.0 111.883 -174.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 p -90.61 -12.45 36.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.044 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.13 -165.04 28.61 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.438 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.609 ' HB3' ' HD1' ' A' ' 99' ' ' TYR . 20.1 m-85 -72.38 112.6 8.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.007 0.432 . . . . 0.0 111.188 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.656 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 49.6 m-70 -134.25 125.99 28.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.53 ' HD1' ' HB3' ' A' ' 82' ' ' ALA . 83.6 m-85 64.33 21.36 12.48 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.599 0.562 . . . . 0.0 111.928 173.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.43 0.22 53.52 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.165 -0.541 . . . . 0.0 113.119 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -139.25 158.7 43.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -176.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.4 mm? -70.61 106.24 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 167.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.656 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 19.0 p -139.1 164.92 28.51 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.704 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.626 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 26.7 p -95.52 177.19 5.9 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.583 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.532 ' HG3' ' H5 ' ' C' ' 22' ' ' ' DC' . 44.1 mm-40 -70.01 -20.78 63.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.541 176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.707 ' HB2' " H3'" ' C' ' 20' ' ' ' DG' . 22.7 t -66.08 -45.54 80.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.2 m -63.78 -52.67 59.22 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.467 ' HE2' ' N7 ' ' B' ' 8' ' ' ' DG' . 29.7 tttm -54.11 -51.91 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.764 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.89 -48.8 67.57 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.909 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -66.74 -37.89 85.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.593 0.235 . . . . 0.0 110.892 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 41' ' ' VAL . 6.2 t80 -60.88 -47.13 87.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.839 ' HZ2' H2'' ' B' ' 8' ' ' ' DG' . 20.5 mtmt -61.38 -48.88 79.24 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.9 176.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.74 ' CZ ' ' H71' ' C' ' 19' ' ' ' DT' . 94.4 mtt-85 -55.91 -33.7 64.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.339 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.8 m -78.79 -57.97 3.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.232 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.66 ' HB ' HG11 ' A' ' 83' ' ' VAL . 21.9 t -70.58 -44.12 77.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -65.68 -43.31 89.62 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 111.471 -175.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -82.2 6.87 15.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.088 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 58.02 41.43 24.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.453 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -78.43 142.8 37.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.523 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -143.52 128.04 18.0 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.555 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -123.57 176.05 6.43 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.357 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -153.05 134.37 14.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.003 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.6 t -92.86 136.78 32.94 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.4 m -60.54 -52.11 66.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 0.0 110.854 -176.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -131.89 156.92 45.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 p 46.81 86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.992 0.808 . . . . 0.0 111.798 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.63 -21.74 63.05 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.645 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.4 m -118.94 81.8 1.76 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.831 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.9 179.42 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.036 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 56' ' ' LYS . 5.0 mmmp? -75.91 105.39 6.93 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.0 mm -77.86 95.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.366 0.603 . . . . 0.0 109.728 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.94 -175.89 2.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.535 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -34.23 77.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.731 0.301 . . . . 0.0 111.401 -175.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.9 p -88.82 -48.03 7.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.123 0.487 . . . . 0.0 111.511 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.549 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 90.4 mt-30 -73.89 -7.62 53.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -172.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.472 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 38.6 ptt180 -75.9 -11.7 60.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.947 0.404 . . . . 0.0 110.322 176.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.898 ' HE3' " H4'" ' C' ' 19' ' ' ' DT' . 13.6 mmmm -92.83 -31.57 14.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.53 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.549 ' HG2' ' HA ' ' A' ' 61' ' ' GLN . 12.7 ptm180 -79.06 -34.04 44.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.701 0.286 . . . . 0.0 111.708 -175.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.572 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 92.0 m -116.49 92.9 38.55 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 120.723 0.297 . . . . 0.0 111.634 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -66.63 -39.02 16.8 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.636 2.224 . . . . 0.0 111.445 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.8 -47.04 86.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.677 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 37.6 m -64.1 -35.5 80.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.482 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -68.0 -41.88 81.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.213 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -60.83 -50.76 72.12 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.26 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -57.96 -39.82 79.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.614 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.619 ' HG3' ' HB ' ' A' ' 15' ' ' VAL . 32.4 tptt -58.8 -44.56 90.78 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.465 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 69.0 m -59.09 -54.43 47.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.63 -40.09 93.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.335 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.8 m -63.79 -46.02 87.07 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 72' ' ' LYS . 27.2 m -69.78 -18.76 22.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.537 -176.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.86 15.88 3.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.419 -0.896 . . . . 0.0 114.067 172.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 86.7 mtp -75.04 124.4 26.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.419 0.609 . . . . 0.0 110.202 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.621 ' HA ' ' NE ' ' A' ' 79' ' ' ARG . 2.4 mmp_? -72.09 121.5 19.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.904 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.1 -29.23 60.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.927 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.73 -14.12 62.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.222 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.715 ' HB2' ' HZ ' ' A' ' 95' ' ' PHE . . . -79.77 -9.21 59.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.66 HG11 ' HB ' ' A' ' 41' ' ' VAL . 44.9 t -82.36 97.22 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.199 0.523 . . . . 0.0 110.389 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.855 ' HB3' H5'' ' B' ' 8' ' ' ' DG' . 21.4 tpt180 -79.05 78.01 5.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.264 175.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.04 -15.11 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.919 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.537 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 5.7 t70 -55.28 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.173 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.708 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 3.8 tpt180 165.82 -34.53 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.66 0.6 . . . . 0.0 110.057 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.569 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 11.2 tpt -52.72 114.84 1.53 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.279 -177.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.612 ' HA ' " C4'" ' B' ' 8' ' ' ' DG' . 99.4 mtt180 -67.35 -15.83 63.91 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.955 -177.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.628 ' HA3' " H5'" ' C' ' 27' ' ' ' DA' . . . -80.39 70.36 2.99 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.35 175.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.45 23.77 5.33 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.372 -0.442 . . . . 0.0 113.285 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.465 ' NH2' " H1'" ' B' ' 5' ' ' ' DC' . 86.4 mtt180 -83.22 106.13 14.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.424 0.631 . . . . 0.0 110.348 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.514 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 46.2 m-80 -95.56 -166.38 1.44 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.552 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -15.18 19.8 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -175.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.715 ' HZ ' ' HB2' ' A' ' 82' ' ' ALA . 38.9 p90 -96.71 10.77 37.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.718 0.294 . . . . 0.0 110.697 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.59 -47.58 44.92 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-O 119.541 -0.588 . . . . 0.0 114.065 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.608 ' HG3' ' OP1' ' C' ' 29' ' ' ' DC' . 53.2 Cg_exo -53.71 -28.21 46.03 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.729 2.286 . . . . 0.0 114.164 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 4.3 ppp? -63.24 -29.48 70.81 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.194 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.633 ' CB ' H5'' ' B' ' 6' ' ' ' DA' . 74.2 m-85 -59.69 -56.75 17.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.322 . . . . 0.0 111.427 -178.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.777 ' HD3' H5'' ' C' ' 29' ' ' ' DC' . 13.9 ptmm? -73.26 -29.87 63.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.737 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 14.4 ttm180 -65.29 -54.78 24.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.076 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.94 -40.36 92.98 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.208 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -62.31 -42.07 99.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.37 -30.98 68.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.444 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 84.5 mt -81.57 -44.39 17.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.125 0.488 . . . . 0.0 110.629 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.52 -50.04 75.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.249 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -84.81 -66.55 0.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 62.62 13.5 6.36 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.316 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 143.55 55.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.135 176.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -92.98 171.12 9.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.355 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.135 178.1 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.828 H2'' ' H8 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 O5'-C5'-C4' 111.632 1.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.828 ' H8 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C4'-C3'-C2' 104.322 1.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 1.09 " H1'" " H5'" ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C4'-C3'-C2' 102.653 -0.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 1.09 " H5'" " H1'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 P-O3'-C3' 120.76 0.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.465 " H1'" ' NH2' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 C4'-C3'-C2' 102.423 -0.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.808 H2'' ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C4'-C3'-C2' 104.753 1.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.808 ' OP2' H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 P-O3'-C3' 122.178 2.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.855 H5'' ' HB3' ' A' ' 84' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 P-O3'-C3' 121.099 1.165 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.708 H5'' ' HD2' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 107.162 0.965 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.806 " H1'" " H5'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C4'-C3' 106.571 0.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.806 " H5'" " H1'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 107.514 1.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.829 H2'' ' C6 ' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 104.522 1.322 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.829 ' C6 ' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C4'-C3'-C2' 104.076 0.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.499 H2'' ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 102.403 -0.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.499 ' OP2' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 P-O3'-C3' 120.653 0.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.562 ' C6 ' ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.598 0 O5'-C5'-C4' 111.688 1.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.562 ' H72' ' C6 ' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-C2' 107.063 0.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.762 " C2'" ' H72' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C4'-C3'-C2' 104.666 1.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.898 " H4'" ' HE3' ' A' ' 63' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 P-O3'-C3' 120.773 0.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 1.006 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-N19 109.38 1.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 1.006 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 P-O3'-C3' 121.002 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.62 ' C5 ' H2'' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 P-O3'-C3' 120.365 0.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.497 H2'' ' OP2' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.19 0.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.513 H2'' ' OP2' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 O4'-C1'-C2' 107.128 0.935 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.529 H2'' ' H8 ' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 104.302 1.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.62 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-N19 109.368 1.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.628 " H5'" ' HA3' ' A' ' 90' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 106.912 0.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.794 H2'' ' C6 ' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C4'-C3'-C2' 104.732 1.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 0.794 ' C6 ' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C4'-C3'-C2' 104.694 1.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.67 ' C6 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C1'-O4'-C4' 110.457 0.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.962 0.41 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' H ' HG22 ' A' ' 20' ' ' VAL . 32.7 mm-40 -124.6 -177.13 3.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.776 -174.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.2 mt -97.53 145.0 26.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.103 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 53.7 t -76.39 120.12 80.29 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.784 -178.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.473 ' HG2' HG11 ' A' ' 76' ' ' VAL . 28.8 Cg_endo -64.55 -8.59 17.68 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.9 2.4 . . . . 0.0 112.889 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.636 HG13 ' HB3' ' A' ' 72' ' ' LYS . 82.0 t -82.92 -49.6 16.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.18 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 3.6 p -132.23 -14.69 2.97 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -169.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.92 -1.67 71.22 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.571 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -72.95 160.88 31.41 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.89 123.58 25.33 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 -175.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.571 HG21 HD12 ' A' ' 28' ' ' LEU . 10.6 m -75.54 139.26 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 111.035 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.5 t -93.09 5.68 50.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.163 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.02 178.83 15.47 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.091 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.542 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 88.8 m-85 -58.56 115.11 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.448 0.642 . . . . 0.0 111.827 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.676 ' HA ' ' OP2' ' B' ' 7' ' ' ' DG' . 12.9 m-70 -131.45 123.84 28.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.698 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.78 ' HE1' ' HG3' ' A' ' 34' ' ' LYS . 65.6 m-85 73.03 -71.6 0.13 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.125 0.57 . . . . 0.0 112.024 173.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 77' ' ' GLY . . . -129.67 -24.77 0.98 Allowed Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.123 -177.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD21 HG23 ' A' ' 76' ' ' VAL . 2.6 pt? -159.18 -176.54 5.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD12 HG21 ' A' ' 20' ' ' VAL . 2.3 pt? -76.95 115.08 16.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.749 0.785 . . . . 0.0 111.053 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.57 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 7.2 p -129.76 168.69 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.319 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 19.6 p -86.33 166.52 15.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.24 -29.69 69.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.093 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.471 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 50.5 m -55.27 -46.08 76.15 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.809 174.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -76.88 -43.01 37.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.898 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.78 ' HG3' ' HE1' ' A' ' 25' ' ' TYR . 33.1 ttpt -51.76 -49.96 61.59 Favored 'General case' 0 C--O 1.245 0.853 0 CA-C-O 121.359 0.6 . . . . 0.0 110.713 176.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -65.53 -52.16 41.76 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -60.42 -40.84 92.46 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.59 0.233 . . . . 0.0 111.129 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -58.16 -50.29 74.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.091 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.602 ' HG2' HG23 ' A' ' 83' ' ' VAL . 26.5 mtmm -59.14 -51.09 71.52 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.435 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 24.6 mmm180 -57.06 -46.93 82.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.299 -174.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.8 m -63.12 -49.95 72.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.654 HG11 ' CG1' ' A' ' 83' ' ' VAL . 44.9 t -63.75 -49.21 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.734 -178.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.64 -34.8 79.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.808 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -83.52 -4.71 58.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -179.523 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.5 m120 59.94 27.95 17.39 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.37 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HG3' ' CB ' ' A' ' 43' ' ' ASN . 90.9 mttt -72.72 114.62 11.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.957 -175.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -106.42 83.88 1.94 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.793 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -68.65 163.21 24.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.308 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 t -130.34 179.31 5.99 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.476 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 42.8 t -159.41 156.88 29.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -101.85 154.22 19.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.725 0.298 . . . . 0.0 111.042 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 59.71 -91.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.474 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.556 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 12.3 m -67.24 -57.68 6.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.712 -172.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.476 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 72.3 mt-30 69.86 -28.23 0.17 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.361 0.665 . . . . 0.0 111.996 -177.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 52' ' ' SER . 21.7 m -105.32 43.19 1.14 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 173.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 52' ' ' SER . 61.6 m -62.51 171.59 1.91 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.529 -177.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -94.23 146.29 24.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.944 -176.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.724 HG13 ' HA ' ' A' ' 69' ' ' ARG . 50.9 mm -115.3 121.92 68.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.992 0.425 . . . . 0.0 110.4 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.539 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 7.4 m-20 -123.01 -172.01 2.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.863 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.7 -28.32 68.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.0 p -87.9 -49.92 6.77 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.928 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.539 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 36.5 mt-30 -79.24 8.07 6.61 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.212 -172.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.49 ' HA ' HG23 ' A' ' 57' ' ' ILE . 37.4 ptt180 -64.3 -33.3 75.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.663 ' HG2' H5'' ' C' ' 19' ' ' ' DT' . 84.0 mttt -97.88 -7.1 30.98 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 178.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' CD ' ' HA ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -67.44 -63.37 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -173.635 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.547 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.5 m -115.78 97.25 48.62 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.675 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 18.3 Cg_endo -61.38 -40.14 51.15 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.555 2.17 . . . . 0.0 111.843 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -63.48 -46.52 85.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.482 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.718 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . 50.0 m -66.08 -30.64 71.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.683 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.976 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 70.3 ttt180 -67.89 -44.75 76.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.052 175.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -64.57 -48.06 76.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.559 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.718 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -70.13 -20.71 63.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.428 -179.474 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.837 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -71.26 -39.65 71.47 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.127 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.515 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 62.5 m -61.0 -38.5 86.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.672 174.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.92 -35.26 69.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.3 m -57.84 -43.11 85.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.473 HG11 ' HG2' ' A' ' 14' ' ' PRO . 33.6 m -80.05 -13.92 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.503 ' O ' ' HA3' ' A' ' 26' ' ' GLY . . . 105.23 26.41 6.28 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.121 -1.038 . . . . 0.0 114.308 171.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.526 ' SD ' HG21 ' A' ' 29' ' ' THR . 79.7 mtp -72.92 113.72 10.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.503 0.652 . . . . 0.0 109.464 173.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -77.56 146.99 35.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.299 -170.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.73 -16.47 60.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.898 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.74 -0.03 28.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.896 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 25' ' ' TYR . . . -111.74 3.23 17.62 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.481 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.654 ' CG1' HG11 ' A' ' 41' ' ' VAL . 7.7 p -116.36 130.21 71.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.137 0.494 . . . . 0.0 110.333 176.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -138.42 133.41 32.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.247 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.1 2.29 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 166.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 87' ' ' ARG . 24.9 t70 -62.09 -16.07 49.73 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.269 -1.332 . . . . 0.0 112.269 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 1.0 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 5.3 tpp180 81.89 -16.08 0.65 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.447 0.699 . . . . 0.0 111.36 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.7 tpp -66.6 115.16 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.742 ' HB3' ' H21' ' B' ' 7' ' ' ' DG' . 64.4 mtt180 -81.29 58.57 3.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.077 -178.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.22 -132.65 4.75 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.869 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.937 ' H ' " H4'" ' C' ' 27' ' ' ' DA' . . . 69.13 76.41 0.47 Allowed Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.631 -0.587 . . . . 0.0 111.631 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.7 ' O ' H5'' ' C' ' 28' ' ' ' DG' . 23.2 ttm180 -148.89 110.83 4.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.975 0.417 . . . . 0.0 111.038 -174.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -104.15 -46.1 4.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.938 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -73.26 -16.87 61.38 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.537 ' O ' ' HG3' ' A' ' 98' ' ' MET . 83.8 m-85 -117.81 0.73 12.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.866 0.365 . . . . 0.0 110.341 174.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.435 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -58.0 -56.47 25.02 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 116.041 -0.527 . . . . 0.0 113.39 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 42.1 Cg_endo -68.38 -29.1 32.1 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.521 2.147 . . . . 0.0 113.58 -177.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.537 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 4.9 ppp? -69.93 -29.89 67.15 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.753 -172.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.664 ' CB ' H5'' ' B' ' 6' ' ' ' DA' . 47.3 m-85 -67.63 -49.69 61.7 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.344 0.593 . . . . 0.0 109.778 173.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -61.86 -42.66 99.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.863 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.562 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 37.2 ttm180 -58.54 -54.07 51.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.047 -0.978 . . . . 0.0 110.947 179.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.49 -33.42 74.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.573 -175.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.466 ' HA ' ' HE2' ' A' ' 23' ' ' TYR . 24.9 tpt180 -65.28 -44.65 87.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.284 176.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.06 87.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.846 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 92.8 mt -66.53 -34.35 77.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.181 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -67.81 -28.96 68.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -99.8 9.55 42.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.789 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -95.37 121.77 37.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.97 0.414 . . . . 0.0 110.762 -176.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -92.29 -40.14 11.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.365 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -84.69 96.77 9.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.93 -176.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.983 177.166 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.593 ' H8 ' HO5' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.569 0 O5'-C5'-C4' 111.489 0.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.6 " H1'" " H5'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C4'-C3'-C2' 104.229 1.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.873 H2'' ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-N19 108.762 1.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.873 ' H72' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C1'-O4'-C4' 110.34 0.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.454 ' C6 ' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 106.734 0.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.759 " H1'" " H5'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-N19 108.146 0.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.759 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.469 1.245 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.731 ' OP2' H2'' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 P-O3'-C3' 121.535 1.529 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 1.0 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 P-O3'-C3' 120.843 0.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.832 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 104.712 1.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.832 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C4'-C3'-C2' 105.276 2.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.639 H2'' ' C5 ' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C3'-C2'-C1' 101.83 -0.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.805 " H1'" " H5'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-N19 108.261 0.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.805 " H5'" " H1'" ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.482 1.256 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C4'-C3'-C2' 104.425 1.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.77 H2'' ' H71' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.676 0 O5'-C5'-C4' 111.523 0.945 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.77 ' H71' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C4'-C3' 106.096 0.496 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.678 H2'' ' C6 ' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C4'-C3'-C2' 104.368 1.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.976 " H3'" HH12 ' A' ' 69' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C4'-C3'-C2' 104.403 1.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.533 H2'' ' OP2' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-N19 108.45 0.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 1.006 " H1'" " H5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.659 0.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 1.006 " H5'" " H1'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 107.395 1.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.509 ' OP2' H2'' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 P-O3'-C3' 120.836 0.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.691 H2'' ' OP2' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.313 1.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.713 " H1'" " O4'" ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-C2' 107.777 1.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.713 " O4'" " H1'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-N19 109.034 1.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.937 " H4'" ' H ' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.148 0.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.7 H5'' ' O ' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.263 1.057 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 0.459 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C1'-N19 108.8 1.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.459 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C1'-O4'-C4' 110.524 0.588 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 122.092 0.948 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.515 ' HG3' ' HG ' ' A' ' 28' ' ' LEU . 5.7 mm-40 -82.09 152.35 26.62 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.506 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.7 mt -108.18 137.08 46.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.802 0.334 . . . . 0.0 110.618 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 51.3 t -63.97 118.44 45.75 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.29 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.08 -12.53 36.41 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.787 2.325 . . . . 0.0 112.268 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.442 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 84.4 t -76.65 -56.61 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.469 178.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.1 p -111.58 -55.57 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 111.748 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.48 -1.93 4.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.913 -175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.18 153.8 40.55 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -71.76 132.71 44.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.941 0.401 . . . . 0.0 110.522 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.623 HG11 ' HB3' ' A' ' 28' ' ' LEU . 10.0 m -75.98 163.78 3.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.87 -172.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.6 t -112.88 16.24 19.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.541 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.09 -178.3 17.62 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.142 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -75.99 114.67 14.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.72 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 78.5 m-70 -140.13 134.08 30.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.618 0.246 . . . . 0.0 111.385 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.564 ' HD1' ' HB3' ' A' ' 24' ' ' HIS . 72.8 m-85 70.19 6.04 5.59 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 167.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.3 -35.26 1.91 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.575 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -150.41 -168.28 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.502 0.192 . . . . 0.0 110.739 179.343 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.623 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.2 mm? -72.07 115.28 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.72 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 2.9 p -132.42 155.31 48.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.317 0.58 . . . . 0.0 111.434 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.9 p -96.71 154.65 17.16 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.382 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.519 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 61.9 mm-40 -64.62 -22.51 66.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.263 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.513 ' HA ' " H2'" ' C' ' 20' ' ' ' DG' . 17.2 p -62.76 -44.1 97.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.043 0.449 . . . . 0.0 110.571 176.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.5 m -78.71 -36.78 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.648 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.555 ' NZ ' " H2'" ' B' ' 7' ' ' ' DG' . 61.1 tttp -58.92 -43.12 91.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.785 0.326 . . . . 0.0 110.424 176.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.0 -49.39 54.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.21 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -56.34 -45.33 80.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.834 0.35 . . . . 0.0 110.946 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.622 ' O ' HG22 ' A' ' 41' ' ' VAL . 30.2 t80 -55.8 -51.47 67.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.037 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HD3' ' C8 ' ' B' ' 8' ' ' ' DG' . 53.3 mtmt -59.0 -45.42 90.7 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.428 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -58.88 -40.56 84.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.94 0.4 . . . . 0.0 110.836 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.4 m -68.25 -52.28 35.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.01 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.631 HG21 HG21 ' A' ' 83' ' ' VAL . 16.0 m -68.65 -48.96 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 11.6 mm-40 -70.14 -35.82 74.32 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -85.24 1.11 49.64 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.611 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 63.19 28.14 15.81 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.22 0.534 . . . . 0.0 110.111 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -78.73 140.79 38.25 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.947 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -141.27 116.78 10.2 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.638 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CD2' ' HB2' ' A' ' 66' ' ' PRO . 97.9 m-85 -91.58 174.75 7.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.523 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -133.81 151.15 51.48 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.857 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -125.08 119.61 29.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.888 0.375 . . . . 0.0 110.109 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 p -88.08 2.17 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.651 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -102.06 -149.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.401 -175.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -75.2 -4.43 38.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.827 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 71.02 -45.8 0.62 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.455 0.702 . . . . 0.0 111.809 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 m -85.77 62.63 7.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.261 0.553 . . . . 0.0 109.58 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.1 m -84.62 165.8 17.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.487 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -82.58 114.56 21.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.462 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.5 mm -93.11 96.54 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.984 0.421 . . . . 0.0 110.45 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -120.93 -163.64 1.04 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.024 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.533 ' HB2' ' NZ ' ' A' ' 59' ' ' LYS . 9.7 mtmp? -61.12 -38.41 86.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.745 0.307 . . . . 0.0 111.556 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.7 p -88.61 -50.31 6.34 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -87.54 12.2 13.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -173.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.516 ' HD2' ' OP1' ' C' ' 20' ' ' ' DG' . 24.2 ptt180 -65.43 -31.57 72.73 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.536 177.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.504 ' HB3' H5'' ' C' ' 19' ' ' ' DT' . 16.1 ptpt -96.83 -17.0 20.49 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.912 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 1.7 mmp_? -64.26 -43.2 95.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.923 0.392 . . . . 0.0 110.548 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.659 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 49.4 m -126.42 85.39 60.27 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.459 174.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.496 ' HB2' ' CD2' ' A' ' 47' ' ' TYR . 14.0 Cg_exo -68.52 -31.03 27.99 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.763 2.309 . . . . 0.0 111.974 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 70.3 t80 -68.14 -41.54 81.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.124 0.488 . . . . 0.0 109.689 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.659 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 56.8 m -64.82 -37.53 87.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.32 177.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -70.45 -36.1 73.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.21 -50.37 72.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.129 0.49 . . . . 0.0 110.032 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -67.8 -28.68 67.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.617 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -59.37 -45.01 92.63 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.068 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.436 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 63.0 m -59.66 -50.22 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.827 176.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.7 HD11 ' HG ' ' A' ' 80' ' ' LEU . 1.7 mm? -57.46 -37.34 72.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.635 177.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.8 m -65.47 -47.82 74.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.779 -177.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.438 HG23 HD11 ' A' ' 27' ' ' LEU . 30.9 m -66.87 -22.46 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.479 -174.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.01 -0.17 3.24 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.36 -0.924 . . . . 0.0 113.671 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 73' ' ' CYS . 82.9 mtp -70.45 132.51 45.68 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 117.107 0.454 . . . . 0.0 110.678 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -97.45 142.64 29.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.095 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.7 ' HG ' HD11 ' A' ' 74' ' ' LEU . 96.6 mt -75.73 -34.48 60.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.752 0.787 . . . . 0.0 109.391 173.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 1.6 pm0 -71.73 6.01 2.2 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.332 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.95 4.08 47.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.078 0.466 . . . . 0.0 110.457 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.631 HG21 HG21 ' A' ' 41' ' ' VAL . 5.7 p -129.62 119.92 49.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.459 0.647 . . . . 0.0 110.128 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -107.09 133.93 50.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.992 -177.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.92 -29.94 44.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.901 -174.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.56 -80.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.563 ' CD ' H5'' ' B' ' 9' ' ' ' DG' . 5.7 tpp180 -179.67 113.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 175.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.717 ' O ' H5'' ' B' ' 8' ' ' ' DG' . 40.1 tpp -152.93 98.5 2.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 175.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.523 ' CZ ' " H4'" ' C' ' 25' ' ' ' DT' . 23.0 mtm180 -93.52 8.43 40.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.434 -178.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.72 112.4 4.45 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 174.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.419 ' HA2' " C4'" ' B' ' 7' ' ' ' DG' . . . -67.75 -19.59 71.47 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.369 -0.443 . . . . 0.0 113.98 -174.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.756 ' HD2' " H4'" ' C' ' 28' ' ' ' DG' . 65.9 mtt180 -106.21 94.83 5.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.304 -0.527 . . . . 0.0 110.941 -178.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -110.77 -138.59 0.38 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.58 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -57.51 -28.98 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.265 0.555 . . . . 0.0 110.452 174.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 73.3 m-85 -81.2 3.24 24.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.065 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.457 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -58.27 -58.25 15.58 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-O 119.747 -0.474 . . . . 0.0 113.368 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 10.4 Cg_endo -54.34 -45.5 40.52 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.844 2.363 . . . . 0.0 112.915 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.9 ptm -70.75 -30.45 66.96 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.734 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 15.3 t80 -63.75 -46.76 83.87 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.451 0.643 . . . . 0.0 109.83 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -59.96 -47.2 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.243 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.502 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 41.7 ttm180 -66.35 -44.89 82.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.263 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -46.25 82.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.111 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -64.68 -39.28 93.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.347 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.96 -40.13 94.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.728 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 84.9 mt -67.25 -30.58 70.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.801 178.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -66.74 -32.14 73.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.592 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -87.09 -38.22 16.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.576 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -68.3 140.08 55.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.738 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 109' ' ' LYS . 2.9 mptp? -88.98 -64.92 1.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 110' ' ' LYS . 29.7 mmtp -140.29 161.38 37.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.114 0.483 . . . . 0.0 111.011 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.702 178.557 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.453 H2'' ' OP2' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 O5'-C5'-C4' 111.274 0.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.506 H2'' ' C6 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 P-O3'-C3' 120.652 0.793 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.506 ' C6 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.42 0.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.854 H2'' ' C5 ' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 O4'-C1'-N19 108.24 0.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.854 ' C5 ' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-N19 108.28 0.6 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.46 H2'' ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-N19 108.518 0.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.566 " H1'" " H5'" ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C1'-O4'-C4' 110.469 0.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.717 H5'' ' O ' ' A' ' 88' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C1'-C2' 107.457 1.233 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.684 ' OP2' H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C4'-C3'-C2' 104.795 1.595 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-N19 108.447 0.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.448 H2'' ' H8 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C4'-C3'-C2' 105.318 2.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.448 ' H8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C4'-C3'-C2' 104.106 0.906 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-N19 108.498 0.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.674 H2'' ' C8 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-C2' 106.834 0.667 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.674 ' C8 ' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C3'-C2'-C1' 101.668 -0.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.811 H2'' ' C5 ' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O5'-C5'-C4' 111.5 0.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.811 ' C5 ' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-N19 108.571 0.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.55 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.501 1.273 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.55 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C4'-C3'-C2' 104.574 1.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.611 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-N19 108.353 0.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.613 " H1'" " H5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 107.093 0.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.76 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 P-O3'-C3' 121.383 1.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.76 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.548 1.316 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.824 H2'' ' C6 ' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C4'-C3'-C2' 104.752 1.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.824 ' C6 ' H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C4'-C3'-C2' 104.744 1.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.919 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C4'-C3'-C2' 104.65 1.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.978 " H1'" " H5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 104.683 1.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.978 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.313 1.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 0.488 ' C6 ' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 P-O3'-C3' 120.659 0.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.467 ' OP2' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 107.112 0.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 CA--C 1.515 -0.373 0 CA-C-O 121.433 0.635 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.605 ' HG3' HD22 ' A' ' 28' ' ' LEU . 7.3 mm-40 -116.56 156.02 27.68 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.909 -176.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 7.0 mp -109.5 143.78 38.68 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.149 0.499 . . . . 0.0 110.809 172.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 20' ' ' VAL . 21.8 m -60.89 129.45 90.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.984 -176.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HG2' HG21 ' A' ' 76' ' ' VAL . 58.8 Cg_endo -70.81 -0.67 8.13 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.922 2.415 . . . . 0.0 112.242 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 72' ' ' LYS . 47.6 t -100.77 -69.88 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.703 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.509 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 20.8 p -82.21 -12.8 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.779 -174.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.71 40.64 93.96 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.12 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.505 ' HB2' ' NH1' ' A' ' 62' ' ' ARG . 2.7 t70 -137.89 166.92 22.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 26.1 mtmm -57.06 145.58 30.28 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.826 0.451 . . . . 0.0 111.417 -173.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 13' ' ' CYS . 20.3 m -90.43 164.11 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 111.405 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.8 t -100.99 -1.37 34.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.01 99.96 2.39 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.066 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' OH ' ' HD3' ' A' ' 103' ' ' ARG . 87.8 m-85 57.06 -151.61 0.41 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 122.376 0.27 . . . . 0.0 111.194 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.605 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 4.9 m-70 127.06 -29.48 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.639 1.976 . . . . 0.0 108.868 171.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.421 ' C ' ' H ' ' A' ' 27' ' ' LEU . 95.9 m-85 -138.62 -151.69 0.39 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.78 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 31.48 1.2 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.993 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.427 HD21 HG23 ' A' ' 76' ' ' VAL . 1.7 pp 176.55 -178.35 0.15 Allowed 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.605 HD22 ' HG3' ' A' ' 11' ' ' GLU . 6.6 mp -86.17 119.75 26.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.054 0.454 . . . . 0.0 110.808 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.605 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 30.9 p -128.11 172.61 10.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.156 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 25.5 p -111.13 -179.26 3.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 176.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -65.94 -27.38 68.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.707 0.289 . . . . 0.0 110.456 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.436 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 18.8 t -68.12 -39.48 82.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.299 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 74.3 m -67.69 -52.42 38.01 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.423 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.528 ' HD2' ' N7 ' ' B' ' 8' ' ' ' DG' . 27.5 ttpp -61.15 -37.86 84.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.829 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -62.62 -56.83 19.15 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.406 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -63.95 -38.62 91.76 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.655 0.264 . . . . 0.0 111.362 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.58 ' O ' HG22 ' A' ' 41' ' ' VAL . 15.0 t80 -58.53 -52.74 64.39 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.653 ' HE2' ' C8 ' ' B' ' 9' ' ' ' DG' . 23.9 mtpp -62.66 -39.65 94.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.313 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.577 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 33.9 mmt180 -49.94 -50.39 46.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.769 0.318 . . . . 0.0 110.835 176.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 m -65.66 -57.99 6.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.722 HG21 HG21 ' A' ' 83' ' ' VAL . 16.2 m -65.01 -45.36 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -79.05 -35.93 41.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.017 0.437 . . . . 0.0 111.933 -172.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.577 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -81.88 -4.69 57.14 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 61.62 40.42 13.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.964 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -92.73 158.04 16.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.791 -174.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -129.59 95.82 4.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.611 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -82.77 160.64 22.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.411 -176.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -143.44 -175.74 4.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.219 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.584 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 53.7 t -135.24 146.89 49.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.7 p -90.09 -18.37 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.494 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -91.51 -93.08 0.14 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.165 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 12.7 p -122.81 -2.6 8.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.898 -173.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.584 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 78.5 mt-30 72.32 -38.42 0.42 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.225 0.61 . . . . 0.0 111.738 -176.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.2 m -101.85 72.45 1.35 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.351 0.596 . . . . 0.0 109.404 173.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 56.8 m -100.21 170.71 8.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.739 -177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -89.97 143.61 26.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.133 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.69 107.21 21.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.32 0.581 . . . . 0.0 110.186 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -124.36 179.85 4.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.013 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -56.69 -36.24 69.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.055 0.455 . . . . 0.0 110.823 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.1 p -84.23 -28.01 27.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.04 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -103.97 -8.86 19.31 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.509 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 34.7 ptt180 -71.57 -20.39 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.814 0.34 . . . . 0.0 111.153 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HZ1' " H4'" ' B' ' 15' ' ' ' DG' . 17.4 ptpt -97.12 -6.4 35.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.012 0.434 . . . . 0.0 110.617 173.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.516 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 67.8 mtp180 -90.94 -62.63 1.41 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.732 -174.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.627 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 77.1 m -94.11 103.15 9.79 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -176.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 56.6 Cg_endo -74.53 -42.67 0.58 Allowed 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.168 1.912 . . . . 0.0 111.819 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.31 -46.39 90.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 0.0 110.295 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.627 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 25.6 m -63.37 -39.59 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' HD2' ' O ' ' A' ' 62' ' ' ARG . 61.8 ttt180 -66.48 -40.62 89.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.759 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.6 -50.78 71.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.063 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -59.09 -41.87 89.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.323 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.642 ' HB3' HG13 ' A' ' 15' ' ' VAL . 22.2 tptp -53.23 -44.45 68.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.778 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.88 -56.56 20.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.611 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.88 -29.18 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.524 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -65.8 -50.03 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 111.518 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.427 HG23 HD21 ' A' ' 27' ' ' LEU . 33.3 m -71.47 -22.08 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.658 -174.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.43 5.46 2.93 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.216 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 85.4 mtp -71.0 109.59 5.19 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.457 ' HB3' ' OE1' ' A' ' 81' ' ' GLU . 31.5 mmt180 -76.13 135.29 39.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.72 -173.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.549 ' O ' HG12 ' A' ' 83' ' ' VAL . 24.7 tp -72.13 -34.18 68.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.678 -176.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.457 ' OE1' ' HB3' ' A' ' 79' ' ' ARG . 1.2 pm0 -76.05 6.49 5.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.624 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB3' ' HD2' ' A' ' 25' ' ' TYR . . . -85.83 -2.76 58.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.059 0.457 . . . . 0.0 110.587 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.722 HG21 HG21 ' A' ' 41' ' ' VAL . 12.6 p -102.11 142.33 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.902 175.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.611 ' NH1' " H5'" ' B' ' 8' ' ' ' DG' . 65.6 mtt180 -108.87 122.12 46.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -176.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.7 -21.8 32.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.123 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 13.3 m-20 -74.85 -73.35 0.25 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.565 ' HA ' ' OP1' ' B' ' 9' ' ' ' DG' . 4.5 tpp180 -179.75 -91.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.894 170.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.623 ' SD ' H5'' ' C' ' 26' ' ' ' DG' . 53.8 tpp 45.82 86.7 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.526 0.517 . . . . 0.0 110.582 -172.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.784 ' HG2' " H4'" ' B' ' 9' ' ' ' DG' . 67.1 mtp180 -76.31 61.13 1.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.63 -172.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.461 ' HA2' " H1'" ' B' ' 7' ' ' ' DG' . . . 129.39 -177.63 17.87 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.45 175.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.673 ' O ' " H4'" ' B' ' 7' ' ' ' DG' . . . 76.25 165.33 19.72 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.314 -0.469 . . . . 0.0 113.3 174.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.62 ' O ' " H4'" ' C' ' 27' ' ' ' DA' . 0.0 OUTLIER -108.13 175.58 5.43 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' OD1' ' HG3' ' A' ' 94' ' ' LYS . 25.2 t-20 -164.14 -70.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.922 0.391 . . . . 0.0 110.347 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HG3' ' OD1' ' A' ' 93' ' ' ASN . 54.7 mttp -84.13 -35.15 23.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.593 0.711 . . . . 0.0 109.88 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.454 ' HB3' ' HD2' ' A' ' 99' ' ' TYR . 71.5 m-85 -87.59 52.2 2.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.426 -178.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.04 -72.08 1.16 Allowed Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.427 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.12 -47.67 19.2 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.179 2.586 . . . . 0.0 112.885 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -63.93 -29.06 70.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.631 0.253 . . . . 0.0 111.351 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.473 ' OH ' ' HB3' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -69.89 -55.97 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.377 -178.275 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -64.73 -30.36 71.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.672 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 64.5 ttt180 -63.19 -47.94 80.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.095 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.08 -44.3 97.57 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.749 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.61 ' HD3' ' OH ' ' A' ' 23' ' ' TYR . 15.4 tpt180 -56.72 -49.1 76.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.09 177.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.26 -38.02 87.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.456 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.478 ' HA ' ' HG3' ' A' ' 108' ' ' GLN . 88.3 mt -76.73 -33.38 58.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.822 0.344 . . . . 0.0 111.433 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -67.34 -25.86 66.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.185 0.517 . . . . 0.0 110.432 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -101.33 -68.73 0.8 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.783 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.478 ' HG3' ' HA ' ' A' ' 105' ' ' LEU . 92.4 mt-30 58.28 -177.39 0.07 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.664 0.745 . . . . 0.0 112.574 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.74 137.06 53.19 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.177 172.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.81 -45.52 13.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.88 0.371 . . . . 0.0 110.641 -176.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.631 -0.7 . . . . 0.0 110.213 178.15 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.658 H2'' ' OP2' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.622 0 O5'-C5'-C4' 111.8 1.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.658 ' OP2' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 P-O3'-C3' 120.853 0.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.759 H2'' ' C6 ' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 P-O3'-C3' 120.583 0.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.759 ' C6 ' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C4'-C3'-C2' 104.545 1.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.613 ' C5 ' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C4'-C3' 106.59 0.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.528 H2'' ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.306 0.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.673 " H4'" ' O ' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 P-O3'-C3' 121.113 1.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.676 " H1'" " H5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C4'-C3'-C2' 104.744 1.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.784 " H4'" ' HG2' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 P-O3'-C3' 120.671 0.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.922 " H1'" " H5'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C1'-N19 108.425 0.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.922 " H5'" " H1'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 O4'-C1'-C2' 107.445 1.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.847 " H5'" " H1'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 P-O3'-C3' 120.818 0.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.641 ' C6 ' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C4'-C3'-C2' 104.035 0.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.683 " H1'" " H5'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C1'-O4'-C4' 110.443 0.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.683 " H5'" " H1'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C1'-C2' 107.568 1.335 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.758 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.575 0 O4'-C1'-N19 108.693 1.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.758 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 P-O3'-C3' 120.907 1.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.694 H2'' ' C5 ' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 104.057 0.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.694 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C4'-C3' 106.395 0.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.669 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 104.555 -1.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.669 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 P-O3'-C3' 120.903 1.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.716 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-N19 108.346 0.682 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.834 H2'' ' C5 ' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 P-O3'-C3' 120.948 1.04 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.834 ' C5 ' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C4'-C3'-C2' 102.173 -1.027 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.735 " H1'" ' O ' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-N19 108.593 0.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.981 " H1'" " H5'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 C4'-C3'-C2' 104.747 1.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.981 " H5'" " H1'" ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 P-O3'-C3' 121.985 1.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.651 ' C8 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 108.736 1.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 0.567 ' OP2' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 P-O3'-C3' 121.324 1.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.431 ' H6 ' " H2'" ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-C2' 107.56 1.327 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.191 0.519 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.539 ' O ' HG22 ' A' ' 20' ' ' VAL . 47.9 mt-10 -140.63 158.61 43.72 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.49 138.99 33.25 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.284 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 49.5 t -62.74 118.31 40.4 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.905 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.4 -11.52 23.2 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.889 2.393 . . . . 0.0 112.599 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.48 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 95.0 t -85.9 -66.01 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.966 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.52 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 25.9 p -91.59 -14.19 30.68 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -171.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.18 43.48 47.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.941 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.555 ' HB2' ' NH1' ' A' ' 62' ' ' ARG . 2.5 t70 -141.43 160.25 40.52 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -57.14 135.46 56.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.834 0.349 . . . . 0.0 111.556 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.61 HG11 ' HB3' ' A' ' 28' ' ' LEU . 35.1 m -80.57 146.52 7.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 p -91.18 -13.2 33.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.254 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.17 -159.81 33.28 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.686 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -108.1 113.44 26.58 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.572 ' HA ' ' P ' ' B' ' 7' ' ' ' DG' . 76.1 m-70 -132.56 152.67 51.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.693 -176.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 65.74 -82.96 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.66 0.6 . . . . 0.0 111.272 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.87 19.71 0.43 Allowed Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.777 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.6 173.29 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.0 111.102 -175.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.61 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.7 mm? -72.63 117.78 14.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.761 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.486 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -138.75 153.31 48.45 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.541 -173.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.8 p -97.74 162.99 13.0 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.457 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -61.63 -33.11 73.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.952 0.406 . . . . 0.0 110.747 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.723 ' HB2' " H2'" ' C' ' 20' ' ' ' DG' . 34.3 t -55.78 -52.96 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.928 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.6 m -63.78 -50.41 69.12 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -174.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -67.15 -23.18 65.76 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.115 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.36 -50.59 49.29 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.397 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -69.86 -40.77 75.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.612 0.244 . . . . 0.0 110.594 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -53.29 -55.03 27.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.663 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.639 ' NZ ' " H2'" ' B' ' 8' ' ' ' DG' . 57.0 mtmt -71.42 -31.12 66.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.876 -177.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -62.71 -41.74 99.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.599 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.5 m -65.45 -48.71 71.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.419 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.64 HG11 HG11 ' A' ' 83' ' ' VAL . 54.8 t -61.67 -51.24 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.048 -179.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -59.34 -40.83 87.58 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.444 ' CB ' ' HG3' ' A' ' 45' ' ' LYS . 51.3 m-80 -83.97 -3.5 58.03 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.702 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 59.48 31.42 21.01 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.374 0.607 . . . . 0.0 109.543 -176.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' HG3' ' CB ' ' A' ' 43' ' ' ASN . 85.4 mttt -70.16 111.59 5.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.473 -174.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -102.51 89.48 3.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.609 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.495 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 94.4 m-85 -72.41 165.66 24.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.75 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -139.93 146.36 39.09 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.4 t -114.56 16.18 17.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.921 0.391 . . . . 0.0 110.655 -173.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.452 HG22 ' HG3' ' A' ' 51' ' ' GLU . 28.1 m 65.36 -76.27 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.534 -173.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HG3' HG22 ' A' ' 50' ' ' THR . 45.2 mt-10 -131.54 171.85 12.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 p 47.46 72.39 0.26 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.543 0.687 . . . . 0.0 110.496 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -66.2 -19.54 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.106 -174.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.1 p -113.89 79.59 1.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.794 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.1 m -81.05 167.28 19.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.56 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -75.23 110.81 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.141 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.2 mm -80.6 103.76 8.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.902 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -111.15 175.45 5.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.837 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -59.3 -26.49 65.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.388 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.6 p -88.97 -50.21 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.585 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -80.91 -0.29 38.54 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -171.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.555 ' NH1' ' HB2' ' A' ' 18' ' ' ASP . 30.3 ptt180 -73.1 -14.35 61.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.042 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.711 ' HG2' " C5'" ' C' ' 19' ' ' ' DT' . 54.7 mttp -96.67 -6.86 35.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.893 0.378 . . . . 0.0 110.684 170.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.544 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 12.3 mtp180 -92.31 -54.02 3.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.758 -174.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 85.1 m -105.49 100.22 25.16 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.766 0.317 . . . . 0.0 111.587 -177.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 16.9 Cg_exo -68.12 -49.76 0.92 Allowed 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.726 2.284 . . . . 0.0 111.783 178.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 90.3 t80 -62.34 -42.89 99.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.747 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 56.7 m -64.88 -35.57 81.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.73 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.985 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 77.7 ttt180 -72.46 -34.1 67.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.058 178.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -64.04 -49.68 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.206 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 68' ' ' CYS . 5.0 pp0? -67.7 -29.05 68.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.01 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.48 ' HG3' ' HA ' ' A' ' 15' ' ' VAL . 42.4 tptt -60.34 -45.83 92.08 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.497 173.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 75.0 m -59.57 -41.7 90.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.257 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.33 -38.68 81.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.118 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.2 m -55.26 -46.38 76.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.956 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.6 m -77.5 -15.89 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.075 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.73 30.05 4.74 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 119.945 -1.121 . . . . 0.0 114.065 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 66.0 mtp -73.56 106.14 5.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 172.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -66.41 126.08 27.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.327 -169.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.19 -22.87 65.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.194 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.415 ' HB2' ' HZ ' ' A' ' 95' ' ' PHE . 16.6 mt-10 -65.12 -23.42 67.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.022 177.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.92 -34.07 39.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.276 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.64 HG11 HG11 ' A' ' 41' ' ' VAL . 2.8 p -78.97 97.22 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 110.218 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -92.73 104.67 16.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.798 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.64 -1.0 9.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.426 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -83.08 9.91 9.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.247 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.769 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 12.1 tpp180 71.5 17.87 5.59 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.659 177.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.449 ' O ' " H4'" ' B' ' 8' ' ' ' DG' . 79.2 mmm -83.7 104.47 13.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.441 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.617 ' HA ' " O4'" ' B' ' 8' ' ' ' DG' . 99.4 mtt180 -85.79 58.31 4.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.268 -176.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.09 -176.55 31.14 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.448 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.457 ' N ' H5'' ' C' ' 27' ' ' ' DA' . . . 138.1 69.72 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 1.084 ' HB2' H5'' ' C' ' 28' ' ' ' DG' . 66.3 mtt180 -83.22 85.07 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -135.57 -73.87 0.45 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -65.75 -31.44 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.187 0.517 . . . . 0.0 110.614 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.415 ' HZ ' ' HB2' ' A' ' 81' ' ' GLU . 50.1 m-85 -85.83 -6.13 59.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.615 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.91 -68.17 1.41 Allowed Glycine 0 C--N 1.331 0.291 0 O-C-N 123.487 0.492 . . . . 0.0 113.365 -175.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -53.1 -53.23 7.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.74 2.293 . . . . 0.0 113.235 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.2 ptm -62.59 -37.7 87.25 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -70.28 -49.23 51.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.968 0.414 . . . . 0.0 110.041 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -59.55 -42.83 93.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.201 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.455 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 52.4 ttt180 -66.25 -48.75 69.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.953 -176.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.12 -47.75 84.81 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.045 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -60.8 -40.87 94.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.374 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.24 -37.09 80.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.511 HD13 ' HE2' ' A' ' 110' ' ' LYS . 80.5 mt -70.47 -23.02 62.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.345 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -82.73 -15.73 50.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.925 0.393 . . . . 0.0 111.05 175.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -89.85 -41.57 11.75 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.852 ' HG2' ' H ' ' A' ' 109' ' ' LYS . 11.4 tt0 -88.97 -162.44 0.86 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.03 -0.987 . . . . 0.0 108.605 173.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.852 ' H ' ' HG2' ' A' ' 108' ' ' GLN . 65.7 mttm -131.53 156.54 45.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 170.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.511 ' HE2' HD13 ' A' ' 105' ' ' LEU . 93.1 mttt -92.21 115.45 28.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.94 0.4 . . . . 0.0 110.811 -174.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.681 -0.676 . . . . 0.0 110.216 179.744 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.592 0 O5'-C5'-C4' 111.659 1.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.77 H2'' ' C5 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C3'-C2'-C1' 101.48 -0.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.77 ' C5 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C1'-O4'-C4' 110.427 0.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.8 H2'' ' C6 ' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 P-O3'-C3' 120.59 0.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.8 ' C6 ' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C4'-C3'-C2' 104.338 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.485 H2'' ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 P-O3'-C3' 120.515 0.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.58 H2'' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-N19 108.839 1.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.706 " H1'" " H5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.316 1.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.769 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C4'-C3'-C2' 104.499 1.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.699 H2'' ' OP2' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C4'-C3' 106.298 0.698 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.699 ' OP2' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-C2' 107.488 1.262 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.423 ' H8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.269 1.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.471 H2'' ' C8 ' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 104.666 1.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.658 H2'' ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-N19 108.383 0.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.658 ' OP2' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 P-O3'-C3' 120.583 0.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.843 H2'' ' H71' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.432 -0.515 0 O5'-C5'-C4' 111.727 1.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.843 ' H71' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C1'-O4'-C4' 110.579 0.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.776 H2'' ' OP2' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-N19 109.564 2.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.985 " H3'" HH12 ' A' ' 69' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 P-O3'-C3' 120.835 0.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 1.06 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 104.529 1.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 1.06 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 107.546 1.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.48 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 P-O3'-C3' 120.439 0.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.48 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 P-O3'-C3' 120.833 0.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.705 H2'' ' OP2' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.443 1.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.747 H2'' ' H8 ' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 P-O3'-C3' 121.838 1.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.747 ' H8 ' H2'' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-N19 108.565 0.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.71 " H1'" " O4'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 105.134 1.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 1.084 H5'' ' HB2' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 P-O3'-C3' 120.577 0.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 0.944 ' C6 ' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C4'-C3'-C2' 104.446 1.246 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 107.231 1.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 CA--C 1.518 -0.285 0 CA-C-O 121.271 0.558 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -128.75 151.37 49.63 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.358 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.1 mt -107.85 135.2 49.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.08 0.467 . . . . 0.0 110.948 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.67 114.99 18.28 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.355 176.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.645 ' HB2' HG11 ' A' ' 76' ' ' VAL . 24.1 Cg_endo -61.13 -14.65 34.82 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.013 2.475 . . . . 0.0 112.856 -174.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.577 HG11 ' SG ' ' A' ' 73' ' ' CYS . 61.7 t -85.11 -61.68 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.048 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.868 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 28.2 p -96.17 -16.7 21.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -170.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.87 60.34 4.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.686 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.498 ' OD1' ' HG2' ' A' ' 19' ' ' LYS . 1.8 t0 -159.78 -170.32 2.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HG2' ' OD1' ' A' ' 18' ' ' ASP . 35.8 mmtm -57.47 163.29 2.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.046 0.45 . . . . 0.0 111.64 -176.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.3 m -127.93 155.55 39.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.746 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.5 m -92.33 -5.19 52.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.297 0.57 . . . . 0.0 109.905 176.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' LEU . . . 118.46 -156.94 15.44 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.444 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.439 ' O ' " H3'" ' B' ' 6' ' ' ' DA' . 6.1 m-85 -70.57 106.13 3.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.203 0.525 . . . . 0.0 111.004 178.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.63 ' HA ' ' OP2' ' B' ' 7' ' ' ' DG' . 82.0 t60 -136.45 112.86 9.95 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.147 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 71.46 20.67 4.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.644 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.65 -15.17 63.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.177 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.3 mt -114.59 161.24 18.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.725 0.298 . . . . 0.0 110.903 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? -80.3 94.1 6.04 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 171.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.761 HG21 ' SD ' ' A' ' 78' ' ' MET . 44.5 p -126.16 160.25 30.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.838 0.352 . . . . 0.0 110.929 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.23 172.42 6.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.086 -174.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.725 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -65.03 -36.84 85.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.261 -178.314 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.458 ' OG ' " H2'" ' C' ' 20' ' ' ' DG' . 23.0 m -60.95 -42.53 98.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.111 0.481 . . . . 0.0 110.867 178.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.8 m -75.83 -42.67 49.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.222 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.725 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 58.6 pttt -62.04 -36.02 80.34 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.152 178.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' A' ' 39' ' ' ARG . . . -63.68 -55.18 26.51 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.495 177.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.465 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 72.3 t80 -59.56 -38.52 81.32 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 111.286 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -59.45 -52.29 66.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.521 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.691 ' HE2' " H2'" ' B' ' 8' ' ' ' DG' . 7.4 mtmp? -65.79 -38.39 88.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.74 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 86.8 mtt180 -55.89 -44.95 78.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -66.62 -51.24 58.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.9 -49.67 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.92 -176.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -70.9 -29.58 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -87.88 1.89 52.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 59.55 39.52 21.48 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.61 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -91.37 150.27 21.35 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.666 -174.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -145.26 94.21 2.49 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.917 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -70.81 169.44 14.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.083 -174.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 p -119.41 171.27 8.45 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.943 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 38.3 t -121.32 -49.59 2.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.653 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 m 72.29 -43.85 0.57 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.899 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.93 -54.95 38.77 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 12.6 t -163.06 -27.9 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 52' ' ' SER . 72.9 mt-30 77.64 -47.59 0.48 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.586 0.754 . . . . 0.0 111.27 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.9 t -87.94 67.98 9.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.471 0.653 . . . . 0.0 109.359 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.8 m -93.15 155.55 17.4 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.581 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -83.38 83.76 7.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.84 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.678 HD11 ' HB2' ' A' ' 68' ' ' CYS . 51.0 mm -64.13 99.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.254 0.55 . . . . 0.0 110.863 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -125.73 -161.71 1.06 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.285 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 59' ' ' LYS . 39.4 ttmt -58.21 -34.69 70.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.953 0.158 . . . . 0.0 111.377 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 77.7 p -88.85 -50.01 6.46 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -78.28 -11.0 59.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -172.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.868 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 29.2 ptt180 -63.16 -25.26 68.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 111.371 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.896 ' HA ' H5'' ' C' ' 19' ' ' ' DT' . 14.8 ptmm? -96.78 -9.17 29.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.253 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -84.49 -33.55 23.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.826 0.346 . . . . 0.0 111.248 -175.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 72.3 m -132.75 101.56 14.09 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.128 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.42 -40.47 57.38 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.571 2.181 . . . . 0.0 111.497 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -59.56 -51.21 70.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.574 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.678 ' HB2' HD11 ' A' ' 57' ' ' ILE . 57.4 m -65.41 -35.19 80.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.939 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.984 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 73.6 ttt180 -68.74 -38.12 79.92 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.977 0.417 . . . . 0.0 110.437 177.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.522 ' O ' HD13 ' A' ' 74' ' ' LEU . 64.6 t80 -63.45 -53.49 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.875 176.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -61.95 -27.28 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.552 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HD3' ' HB ' ' A' ' 57' ' ' ILE . 21.1 tptm -63.49 -43.87 96.02 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.158 176.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.589 ' HB3' ' HG3' ' A' ' 78' ' ' MET . 61.2 m -59.16 -48.53 81.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.479 0.656 . . . . 0.0 109.784 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 70' ' ' PHE . 9.1 mp -62.03 -40.31 95.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.879 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -54.58 -49.34 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.967 0.413 . . . . 0.0 110.821 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.645 HG11 ' HB2' ' A' ' 14' ' ' PRO . 35.5 m -78.55 -6.05 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.04 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.58 41.55 4.73 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.411 -0.899 . . . . 0.0 113.906 170.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.761 ' SD ' HG21 ' A' ' 29' ' ' THR . 26.1 mmm -67.27 137.3 56.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.893 0.378 . . . . 0.0 110.161 170.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -73.99 115.17 13.14 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.796 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.502 HD21 ' HG ' ' A' ' 74' ' ' LEU . 4.5 mm? -72.64 -30.49 64.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.46 176.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.552 ' HG2' ' HZ ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -82.84 -12.82 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.899 -177.57 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.42 -19.8 52.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.163 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.45 HG13 ' HG2' ' A' ' 38' ' ' LYS . 47.7 t -57.13 109.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.352 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.48 ' HB2' H5'' ' B' ' 8' ' ' ' DG' . 5.4 mmp_? -78.21 77.83 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.196 0.522 . . . . 0.0 110.864 -178.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.51 -3.01 38.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.014 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -79.6 1.74 24.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.336 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.834 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 6.2 tpp180 66.64 17.66 10.64 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.957 0.884 . . . . 0.0 110.12 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 90.4 mtp -98.48 117.78 33.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.776 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.673 ' HG3' " O4'" ' B' ' 8' ' ' ' DG' . 9.6 mpt_? -79.87 59.77 3.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.64 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.17 -119.23 0.78 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.311 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 1.066 ' H ' " H4'" ' C' ' 27' ' ' ' DA' . . . 86.1 26.42 34.14 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.516 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.758 ' HB3' " H4'" ' C' ' 28' ' ' ' DG' . 61.8 ttp180 -77.37 86.52 3.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.855 -177.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.473 ' HB3' ' OP1' ' C' ' 28' ' ' ' DG' . 9.5 p30 -157.1 -38.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.819 176.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -59.25 -44.48 92.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.352 0.596 . . . . 0.0 110.394 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.552 ' HZ ' ' HG2' ' A' ' 81' ' ' GLU . 46.3 m-85 -101.21 11.78 38.74 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.327 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.511 ' O ' ' HG2' ' A' ' 100' ' ' LYS . . . -55.94 -51.47 55.22 Favored Glycine 0 CA--C 1.524 0.623 0 CA-C-N 115.478 -0.783 . . . . 0.0 113.396 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.71 -51.05 11.3 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.653 2.235 . . . . 0.0 112.733 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 25.3 ptm -70.87 -30.43 66.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.007 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -56.36 22.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 111.066 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 96' ' ' GLY . 7.0 ptpp? -68.34 -39.14 81.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -178.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 101' ' ' ARG . 11.8 ttm180 -65.71 -56.41 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.414 -176.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -33.82 74.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -176.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 103' ' ' ARG . 11.7 ttm180 -65.77 -41.64 91.82 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.567 -0.453 . . . . 0.0 109.842 176.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.02 -34.49 77.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 80.4 mt -70.07 -37.04 75.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.034 177.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -74.42 -37.27 63.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.487 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -94.72 11.17 32.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.917 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -62.74 -72.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.764 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -174.34 117.76 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -80.35 82.93 6.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.774 179.744 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.407 ' C6 ' ' C6 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.599 0 O5'-C5'-C4' 111.478 0.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.661 H2'' ' C6 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 P-O3'-C3' 120.292 0.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.661 ' C6 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-C1' 101.236 -1.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.622 ' H72' " C2'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-N19 108.675 1.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.837 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 106.953 0.776 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.837 ' C8 ' H2'' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.357 0.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.654 H2'' ' OP2' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 104.611 1.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.691 " H2'" ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 P-O3'-C3' 121.244 1.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.834 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-C2' 104.545 -1.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.495 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 104.335 1.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.681 " H1'" " H5'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 O4'-C1'-C2' 107.535 1.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.681 " H5'" " H1'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 P-O3'-C3' 120.56 0.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.594 H2'' ' C8 ' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C4'-C3' 106.144 0.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.823 " H1'" " H5'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-N19 108.424 0.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.823 " H5'" " H1'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C3'-C2'-C1' 105.05 1.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.71 " H1'" " H5'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.667 0 C4'-C3'-C2' 104.1 0.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.71 " H5'" " H1'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C1'-C2' 107.004 0.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.695 H2'' ' OP2' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C4'-C3' 106.363 0.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.984 " H3'" HH12 ' A' ' 69' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C4'-C3'-C2' 104.418 1.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.948 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C4'-C3' 106.325 0.725 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 1.036 " H1'" " H5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 P-O3'-C3' 120.365 0.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 1.036 " H5'" " H1'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-C2' 107.401 1.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.566 H2'' ' C6 ' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C4'-C3'-C2' 104.164 0.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.877 " H1'" " H5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-N19 108.67 1.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.971 H2'' ' C8 ' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C4'-C3' 106.308 0.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.975 " H1'" " H5'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O4'-C1'-N19 108.909 1.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 1.066 " H4'" ' H ' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.576 1.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.839 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 102.461 -0.739 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 0.626 ' C6 ' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-N19 109.134 1.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.519 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-N19 108.219 0.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -73.23 155.84 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.771 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.9 mt -112.94 143.86 43.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.028 0.442 . . . . 0.0 110.772 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 t -69.06 110.66 6.51 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 174.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.9 11.87 0.29 Allowed 'Trans proline' 0 N--CA 1.476 0.481 0 C-N-CA 123.428 2.752 . . . . 0.0 114.422 -168.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.557 HG13 ' H ' ' A' ' 16' ' ' CYS . 2.9 p -112.28 -62.62 2.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.024 0.44 . . . . 0.0 111.133 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.557 ' H ' HG13 ' A' ' 15' ' ' VAL . 20.1 p -91.79 -20.4 21.55 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.444 -174.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.06 26.07 35.39 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.143 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -96.23 161.65 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -72.01 139.51 48.59 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.3 m -73.63 151.84 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.093 0.473 . . . . 0.0 111.831 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.5 t -108.95 -14.28 14.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.16 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.39 -177.77 33.22 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.546 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -78.78 120.11 22.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.718 0.295 . . . . 0.0 110.941 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.5 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 61.4 m-70 -136.75 118.49 15.06 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.47 ' CE1' HG12 ' A' ' 83' ' ' VAL . 42.4 m-85 67.24 28.93 7.9 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.171 176.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.02 -23.69 35.0 Favored Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.665 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mt -112.29 147.94 35.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.905 0.383 . . . . 0.0 111.643 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.425 HD11 ' HE3' ' A' ' 106' ' ' LYS . 5.4 mp -74.33 114.54 12.82 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 171.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.5 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 20.7 p -136.12 167.34 21.44 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.743 -174.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 p -92.19 157.5 16.67 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.887 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -58.86 -28.2 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.195 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.642 ' OG ' " H3'" ' C' ' 20' ' ' ' DG' . 0.9 OUTLIER -51.74 -54.28 30.21 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.117 175.209 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.5 m -78.9 -32.37 45.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.039 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 31.7 ttpt -54.99 -51.2 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.048 0.452 . . . . 0.0 110.095 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.48 -47.53 83.1 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.418 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.01 -42.57 94.58 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.678 0.275 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.62 ' O ' HG22 ' A' ' 41' ' ' VAL . 12.1 t80 -61.04 -49.35 77.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.001 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 7.6 mtmp? -58.1 -46.45 85.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 O-C-N 123.231 0.332 . . . . 0.0 110.937 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -54.01 -43.4 70.03 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.993 0.425 . . . . 0.0 110.564 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.4 m -70.34 -57.13 5.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.705 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.776 HG21 HG11 ' A' ' 83' ' ' VAL . 17.3 m -68.69 -43.15 83.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -172.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.14 -39.84 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.691 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 46.0 m-80 -93.92 -3.35 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.328 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 59.3 38.3 23.21 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.699 0.761 . . . . 0.0 109.957 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.691 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 28.6 mtpp -68.41 125.87 27.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.602 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -107.92 111.07 22.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.114 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.606 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 71.8 m-85 -85.82 172.09 11.04 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.7 m -141.55 122.76 14.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.278 0.561 . . . . 0.0 111.382 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.43 -44.31 2.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.625 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 p 53.86 173.51 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.116 0.967 . . . . 0.0 112.911 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 65.7 -59.57 0.29 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.689 0.796 . . . . 0.0 111.524 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 m -139.27 92.4 2.58 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -67.83 -14.47 62.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.053 0.454 . . . . 0.0 110.526 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -110.64 83.96 1.85 Allowed 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.365 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 82.8 m -94.35 165.64 12.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.123 175.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HB2' ' NZ ' ' A' ' 56' ' ' LYS . 9.7 mtmp? -73.9 101.09 3.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.723 -178.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.577 HD11 ' HB2' ' A' ' 68' ' ' CYS . 47.0 mm -76.02 113.35 14.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.576 0.703 . . . . 0.0 110.094 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -140.53 -176.94 4.82 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.548 ' HA ' ' HD2' ' A' ' 62' ' ' ARG . 37.3 mtpt -74.69 -16.03 60.77 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.617 0.722 . . . . 0.0 109.362 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.4 p -79.9 -49.97 11.15 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.436 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 44.3 mt-30 -96.95 18.53 14.48 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -175.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.548 ' HD2' ' HA ' ' A' ' 59' ' ' LYS . 11.1 ptm85 -64.4 -39.47 93.92 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.601 0.239 . . . . 0.0 111.6 -177.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.57 ' HE2' " H4'" ' C' ' 19' ' ' ' DT' . 95.1 mttt -95.61 -18.49 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 175.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HB2' ' HA ' ' A' ' 61' ' ' GLN . 76.3 mtp180 -71.21 -36.79 72.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.295 -174.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.449 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 83.2 m -126.81 84.32 63.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 120.797 0.332 . . . . 0.0 111.035 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.05 -38.41 28.46 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.581 2.187 . . . . 0.0 111.383 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.606 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 74.4 t80 -65.25 -47.67 75.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.391 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.577 ' HB2' HD11 ' A' ' 57' ' ' ILE . 43.3 m -64.26 -35.54 81.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.07 -46.24 90.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.933 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -61.73 -45.16 95.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.271 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -56.54 -37.83 71.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.265 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.903 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 14.0 ttmt -75.56 -27.62 58.69 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.268 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 84.1 m -57.07 -45.55 83.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 173.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.681 ' HG ' HD21 ' A' ' 80' ' ' LEU . 7.2 mp -72.63 -32.66 66.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 174.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.903 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 2.9 m -54.65 -47.95 72.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.694 175.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.6 m -80.03 -30.39 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.377 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.47 34.98 0.68 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.321 -0.943 . . . . 0.0 114.086 171.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 87.5 mtp -78.74 121.65 25.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.327 0.563 . . . . 0.0 109.537 175.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -68.37 125.4 26.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.39 -172.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.681 HD21 ' HG ' ' A' ' 74' ' ' LEU . 3.4 mm? -75.36 -46.41 33.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.282 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -77.33 3.03 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.489 -176.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.39 -29.44 33.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.725 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.776 HG11 HG21 ' A' ' 41' ' ' VAL . 19.2 m -71.94 144.11 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-O 121.177 0.513 . . . . 0.0 110.879 -178.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 91' ' ' GLY . 56.9 mtt180 -115.21 89.36 3.08 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.297 175.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.68 -16.31 25.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.252 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.24 -1.13 11.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.571 175.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.816 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 1.4 tmm_? 66.44 85.47 0.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.833 175.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.684 ' O ' H5'' ' B' ' 8' ' ' ' DG' . 57.5 tpp -142.57 121.43 12.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.231 176.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.595 ' HD3' ' H21' ' B' ' 7' ' ' ' DG' . 97.5 mtt180 -80.92 60.0 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.237 0.541 . . . . 0.0 111.31 -175.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.72 -127.95 2.01 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 1.023 ' HA2' " H4'" ' C' ' 27' ' ' ' DA' . . . 73.9 48.51 16.1 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.282 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.563 ' O ' H5'' ' C' ' 28' ' ' ' DG' . 66.3 mtm180 -85.81 87.49 7.41 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -177.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -120.08 -62.42 1.48 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.334 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.846 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.13 -42.05 98.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.105 -175.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.641 ' O ' ' HG2' ' A' ' 98' ' ' MET . 67.0 m-85 -120.33 19.09 12.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.54 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.58 -60.36 7.52 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.432 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.74 -32.12 82.91 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 123.211 2.607 . . . . 0.0 114.17 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.641 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 25.5 ptm -64.21 -29.01 70.14 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.59 0.233 . . . . 0.0 111.24 -174.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.777 ' CG ' H5'' ' B' ' 6' ' ' ' DA' . 55.9 m-85 -60.89 -54.79 40.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.166 0.508 . . . . 0.0 111.122 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.689 ' HD2' " H4'" ' C' ' 29' ' ' ' DC' . 92.4 mttt -71.88 -20.76 61.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.637 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.472 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 35.2 ttp180 -61.87 -55.48 29.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -34.57 72.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.811 178.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 3.6 mmp_? -54.51 -50.98 66.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.749 174.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.89 61.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.815 -177.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 98.3 mt -76.71 -46.37 25.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.029 0.442 . . . . 0.0 111.186 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.425 ' HE3' HD11 ' A' ' 28' ' ' LEU . 67.9 mttm -78.89 -14.89 58.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.054 -174.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -82.16 -22.24 36.16 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -70.04 113.0 6.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.573 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm 67.08 -0.28 1.78 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.918 -174.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 66.3 mttm 57.88 34.07 23.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.697 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.542 -179.147 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.568 0 O5'-C5'-C4' 111.5 0.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.601 H2'' ' C5 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-N19 108.575 0.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.601 ' C5 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 P-O3'-C3' 120.351 0.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.603 H2'' ' OP2' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-C2' 107.011 0.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.603 ' OP2' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 P-O3'-C3' 121.27 1.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.777 H5'' ' CG ' ' A' ' 99' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C4'-C3'-C2' 104.499 1.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.595 ' H21' ' HD3' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 P-O3'-C3' 121.973 1.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.684 H5'' ' O ' ' A' ' 88' ' ' MET . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C4'-C3' 106.495 0.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.816 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-N19 108.488 0.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.795 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C4'-C3'-C2' 104.878 1.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.795 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C4'-C3'-C2' 105.357 2.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.576 ' H8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 104.514 -1.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-N19 108.443 0.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.703 " H1'" " H5'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 107.267 1.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.703 " H5'" " H1'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 O4'-C1'-C2' 107.562 1.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.861 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 O5'-C5'-C4' 111.427 0.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.861 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 P-O3'-C3' 121.989 1.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 1.025 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-N19 109.215 1.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 1.025 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 105.388 1.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.691 H2'' ' C8 ' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C4'-C3'-C2' 104.728 1.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.691 ' C8 ' H2'' ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 P-O3'-C3' 120.802 0.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.565 ' H6 ' " O5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 107.278 1.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.458 H2'' ' C6 ' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C4'-C3'-C2' 104.697 1.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.58 " C2'" ' H72' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-N19 108.384 0.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.58 ' H72' " C2'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 P-O3'-C3' 120.819 0.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.577 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C4'-C3'-C2' 104.656 1.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 1.023 " H4'" ' HA2' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-C2' 106.96 0.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.828 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C4'-C3'-C2' 102.392 -0.808 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 0.689 " H4'" ' HD2' ' A' ' 100' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O4'-C1'-N19 108.424 0.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.458 ' C5 ' ' C2 ' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C3'-C2'-C1' 101.124 -1.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 N--CA 1.463 0.204 0 CA-C-O 120.999 0.428 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.603 ' HG2' HD22 ' A' ' 28' ' ' LEU . 32.3 mp0 -92.19 145.17 24.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.184 0.516 . . . . 0.0 110.582 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -136.74 155.42 49.87 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.41 110.46 5.3 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.418 ' HG2' HG21 ' A' ' 76' ' ' VAL . 61.1 Cg_endo -74.19 12.65 0.98 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.996 2.464 . . . . 0.0 112.823 -173.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.5 t -104.09 -57.51 4.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.48 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HA ' HG22 ' A' ' 57' ' ' ILE . 14.2 p -111.07 -12.9 14.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -173.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.41 27.79 35.09 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.735 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -97.21 170.24 9.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.561 -0.376 . . . . 0.0 110.158 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 37.9 mtmm -72.37 150.32 43.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.688 0.28 . . . . 0.0 110.268 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.2 m -78.03 148.19 6.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.117 0.484 . . . . 0.0 111.345 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -106.99 7.17 29.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.284 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.16 -178.24 17.02 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.968 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.96 118.56 6.41 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.76 ' HA ' ' OP2' ' B' ' 7' ' ' ' DG' . 7.9 m-70 -134.48 112.45 10.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.504 0.192 . . . . 0.0 110.974 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 74.35 -54.0 0.68 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.638 0.775 . . . . 0.0 112.03 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.9 -39.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.31 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.867 HD22 HG13 ' A' ' 76' ' ' VAL . 5.9 mp -118.45 174.8 6.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD22 ' HG2' ' A' ' 11' ' ' GLU . 6.1 mp -81.62 105.6 12.9 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 171.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 60.8 p -121.21 171.21 8.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.153 -176.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 11.5 p -94.55 156.47 16.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.622 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 55.1 mm-40 -57.32 -26.86 61.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.728 174.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 m -59.28 -47.69 84.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.755 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 89.0 m -82.53 -35.2 27.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 33.4 tttm -56.66 -46.02 81.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.968 0.413 . . . . 0.0 110.739 173.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.13 72.45 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.122 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -57.37 -43.78 83.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.942 0.401 . . . . 0.0 110.992 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.588 ' O ' HG22 ' A' ' 41' ' ' VAL . 51.5 t80 -59.15 -51.53 69.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.134 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.808 ' HE2' ' C8 ' ' B' ' 9' ' ' ' DG' . 16.2 mtpp -59.15 -44.12 92.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.831 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -54.84 -43.07 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 110.588 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.8 m -69.92 -55.45 9.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.601 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.702 HG21 HG21 ' A' ' 83' ' ' VAL . 13.8 m -63.08 -43.16 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 10.4 mm-40 -70.24 -24.7 63.12 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -174.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.665 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 56.6 m-80 -107.16 2.5 24.85 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.817 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 59.84 40.1 19.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.334 0.588 . . . . 0.0 109.625 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.665 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 27.7 mtpp -76.47 110.1 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.29 -173.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -103.72 110.83 23.07 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.732 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 60.1 m-85 -88.56 -175.0 4.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.737 -175.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -142.74 159.16 42.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.291 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.687 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 42.3 t -145.86 152.83 40.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.1 p -89.87 178.59 6.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.53 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 64.35 -87.12 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.76 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.5 p -145.79 5.63 1.03 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.35 -176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.687 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 68.0 mt-30 68.38 3.76 3.91 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.319 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -91.24 70.25 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.422 0.63 . . . . 0.0 110.586 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 38.7 m -108.24 163.84 12.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.148 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.555 ' N ' ' HD3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -107.91 143.32 36.71 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.696 HG13 ' HA ' ' A' ' 69' ' ' ARG . 43.8 mm -101.81 121.1 52.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.195 0.521 . . . . 0.0 110.473 -177.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.514 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 17.9 t70 -135.5 -177.03 4.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.936 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -54.12 -43.75 70.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.356 0.598 . . . . 0.0 110.848 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 t -86.42 -24.96 25.5 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.336 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.514 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 45.5 mt-30 -95.48 4.3 53.38 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.157 -0.34 . . . . 0.0 111.895 -174.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -72.67 -28.6 62.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.418 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HE2' " O3'" ' C' ' 19' ' ' ' DT' . 91.5 mttt -95.6 -8.21 35.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.646 0.26 . . . . 0.0 111.449 176.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.538 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 72.2 mtp180 -79.16 -63.4 1.43 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -174.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 80.6 m -108.9 94.64 15.02 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.78 0.324 . . . . 0.0 110.856 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 18.9 Cg_exo -66.66 -35.08 30.03 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.595 2.197 . . . . 0.0 111.501 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.732 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 61.9 t80 -68.57 -46.09 70.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.457 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 53.8 m -62.57 -38.54 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.154 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.696 ' HA ' HG13 ' A' ' 57' ' ' ILE . 66.7 ttt180 -68.44 -41.25 80.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.709 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.34 -47.59 85.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.184 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -63.39 -36.75 84.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.527 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -61.51 -40.85 96.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.438 177.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 71.0 m -61.65 -48.46 80.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.037 0.446 . . . . 0.0 110.235 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.573 ' HA ' ' O ' ' A' ' 78' ' ' MET . 71.9 mt -64.4 -48.61 74.75 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.737 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.0 m -50.53 -44.13 56.25 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.731 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.867 HG13 HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -65.41 -26.96 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.038 -176.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.466 ' HA3' HD11 ' A' ' 27' ' ' LEU . . . 134.79 -0.9 3.81 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.584 -1.294 . . . . 0.0 113.41 177.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.573 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 88.2 mtp -77.29 120.87 22.92 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.524 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 22.7 mmt180 -94.4 149.74 20.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.842 0.353 . . . . 0.0 111.125 -173.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.62 -36.77 76.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.397 0.618 . . . . 0.0 110.294 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -82.81 5.24 22.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.19 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 79' ' ' ARG . . . -88.86 -20.04 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.702 HG21 HG21 ' A' ' 41' ' ' VAL . 2.4 p -93.77 118.97 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.132 0.492 . . . . 0.0 110.836 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.936 ' HB3' H5'' ' B' ' 8' ' ' ' DG' . 28.1 tpt180 -70.59 105.11 3.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.946 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.36 -26.16 35.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.591 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.51 ' HB3' ' NE ' ' A' ' 84' ' ' ARG . 5.2 t70 -51.67 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.599 177.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.928 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 10.5 tpt180 171.89 -37.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.634 0.374 . . . . 0.0 110.24 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.52 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 85.5 mmm -52.86 120.02 5.29 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.955 -177.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.807 ' HD3' ' H21' ' B' ' 7' ' ' ' DG' . 66.7 mtt180 -79.95 59.71 3.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.015 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.823 ' HA2' " C5'" ' C' ' 27' ' ' ' DA' . . . -79.56 113.39 3.65 Favored Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.886 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.675 ' HA2' " C5'" ' B' ' 7' ' ' ' DG' . . . -50.44 -49.28 39.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.351 -0.452 . . . . 0.0 112.139 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.648 ' HD2' ' O ' ' A' ' 91' ' ' GLY . 19.8 mmm180 -123.38 129.56 51.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -104.32 -70.79 0.76 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.414 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -113.43 -40.77 3.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.125 0.488 . . . . 0.0 110.393 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 81.5 m-85 -84.62 54.39 3.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.791 -173.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.468 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -76.78 -59.79 3.12 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.872 177.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 9.3 Cg_endo -52.53 -52.68 8.35 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.169 2.579 . . . . 0.0 113.548 -177.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.8 ptm -60.54 -29.92 69.43 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.851 0.358 . . . . 0.0 111.102 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.533 ' HE2' " C5'" ' B' ' 6' ' ' ' DA' . 1.1 t80 -71.07 -48.84 50.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.545 0.688 . . . . 0.0 109.611 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -62.81 -41.95 99.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.656 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -63.68 -45.52 89.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.277 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.77 -46.97 87.28 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.236 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.608 HH12 " H4'" ' B' ' 5' ' ' ' DC' . 51.6 ttp180 -67.54 -39.26 85.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.826 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 108' ' ' GLN . . . -58.39 -49.5 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.772 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.9 mt -66.61 -36.57 82.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.11 0.481 . . . . 0.0 110.544 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -63.03 -52.45 62.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.783 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -72.33 -22.02 61.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.796 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.509 ' HB2' ' O ' ' A' ' 104' ' ' ALA . 48.3 tt0 -72.84 87.49 1.3 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.695 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 110' ' ' LYS . 48.4 mmtm -134.56 100.81 4.75 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 109' ' ' LYS . 77.3 tttt 68.6 128.6 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.777 0.673 . . . . 0.0 110.868 -176.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.547 -0.739 . . . . 0.0 110.136 179.457 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.653 0 O5'-C5'-C4' 111.59 0.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.445 " H1'" " H5'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 C2'-C3'-O3' 111.591 0.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.562 H2'' ' OP2' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 P-O3'-C3' 120.761 0.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.562 ' OP2' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C4'-C3' 106.41 0.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.608 " H4'" HH12 ' A' ' 103' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 P-O3'-C3' 120.908 1.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 1.01 " H1'" " H5'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-N19 108.929 1.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 1.01 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 107.506 1.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.936 H5'' ' HB3' ' A' ' 84' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 106.955 0.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.928 H5'' ' HD2' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 101.12 -1.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.617 ' C5 ' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 O4'-C1'-C2' 107.086 0.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.669 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C4'-C3'-C2' 104.927 1.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.669 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 P-O3'-C3' 121.644 1.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.416 ' C2 ' ' C2 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 P-O3'-C3' 120.464 0.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.548 H2'' ' C8 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C4'-C3' 106.245 0.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.548 ' C8 ' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-N19 108.31 0.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.536 0 O5'-C5'-C4' 111.534 0.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.896 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C4'-C3'-C2' 104.593 1.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.896 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.551 0.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.713 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-C2' 107.485 1.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.466 ' C2 ' ' C2 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 104.481 -1.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.621 H2'' ' OP2' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 P-O3'-C3' 120.55 0.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.733 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 P-O3'-C3' 121.258 1.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.884 H2'' ' C5 ' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 C4'-C3'-C2' 104.51 1.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.884 ' C5 ' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C3'-C2'-C1' 101.749 -0.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 P-O3'-C3' 120.415 0.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.641 " H1'" " H5'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C4'-C3' 106.463 0.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.823 " C5'" ' HA2' ' A' ' 90' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.538 1.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.618 H2'' ' C6 ' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-N19 108.989 1.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 0.747 H2'' ' C6 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-N19 108.635 1.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.747 ' C6 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C4'-C3' 106.059 0.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.96 157.66 31.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.771 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.6 mt -98.45 144.42 27.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.195 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.1 m -65.42 127.36 92.88 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.095 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.55 -3.59 12.18 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.355 2.036 . . . . 0.0 111.947 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.8 t -93.79 -65.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.746 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.5 p -94.92 -28.64 15.08 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -173.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.64 18.25 33.28 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.67 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -119.3 166.25 13.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.295 0.548 . . . . 0.0 110.528 176.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 19' ' ' LYS . 10.2 mtpm? -51.61 129.56 26.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.305 0.574 . . . . 0.0 112.414 -175.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -69.14 152.81 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.818 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.406 ' H ' ' HA ' ' A' ' 30' ' ' CYS . 20.1 m -98.15 5.57 48.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.401 0.62 . . . . 0.0 109.784 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.68 -172.15 15.72 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.88 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB3' ' OH ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -71.9 128.55 36.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 177.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.675 ' HA ' ' OP2' ' B' ' 7' ' ' ' DG' . 24.0 m-70 -136.72 -104.38 0.2 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.695 0.283 . . . . 0.0 111.261 176.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.412 ' HD1' ' HB3' ' A' ' 24' ' ' HIS . 3.9 m-85 -83.72 81.93 8.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.855 0.36 . . . . 0.0 111.109 -174.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.55 -18.17 30.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.386 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.483 HD21 HG23 ' A' ' 76' ' ' VAL . 2.4 pt? -164.81 -171.08 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.022 0.411 . . . . 0.0 110.564 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.439 HD11 ' HE2' ' A' ' 106' ' ' LYS . 5.7 mp -76.78 119.55 20.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.183 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.48 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 2.0 p -144.89 154.35 42.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.938 -178.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.406 ' HA ' ' H ' ' A' ' 21' ' ' SER . 30.0 p -88.83 173.47 8.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.851 0.358 . . . . 0.0 110.29 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' HB3' ' H41' ' C' ' 22' ' ' ' DC' . 13.2 mm-40 -61.47 -29.78 70.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.215 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.641 ' HB2' " C2'" ' C' ' 20' ' ' ' DG' . 9.4 t -66.2 -38.79 88.85 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.677 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.6 m -60.95 -58.72 7.26 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.628 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 25' ' ' TYR . 19.4 pttp -71.33 -21.57 62.03 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.132 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.18 -58.42 11.76 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.811 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -68.42 -41.03 80.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.653 0.264 . . . . 0.0 111.001 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -56.12 -52.47 64.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.232 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.644 ' HA ' HG22 ' A' ' 41' ' ' VAL . 51.2 pttt -73.88 -34.42 64.45 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.917 -176.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -53.01 -44.2 67.12 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.252 0.549 . . . . 0.0 110.431 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.1 m -67.42 -53.98 24.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.441 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.644 HG22 ' HA ' ' A' ' 38' ' ' LYS . 15.9 m -64.34 -43.44 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.51 ' OE1' ' HA ' ' A' ' 85' ' ' ALA . 17.5 mm-40 -63.45 -23.78 67.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.345 . . . . 0.0 111.723 -176.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -106.54 7.61 30.91 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.63 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 59.4 31.53 21.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.426 176.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -81.98 136.15 35.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.796 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -127.04 122.76 35.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.828 174.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.403 ' CG ' ' HB2' ' A' ' 66' ' ' PRO . 89.9 m-85 -98.15 158.42 15.56 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.145 -178.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.9 m -126.21 123.57 38.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.523 ' SG ' ' HG3' ' A' ' 53' ' ' GLN . 18.2 t -115.36 4.14 14.32 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 175.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 44.9 m 72.64 109.02 0.07 Allowed 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.702 -178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 50' ' ' THR . 10.2 mm-40 68.59 -170.21 0.18 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.266 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 17.6 m -73.99 -32.59 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.43 -177.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.629 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 14.6 mm100 73.15 -53.15 0.7 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 172.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 m 61.67 29.59 18.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.344 0.403 . . . . 0.0 110.701 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 53' ' ' GLN . 60.3 m -57.78 139.67 53.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.542 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.94 107.18 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.149 0.499 . . . . 0.0 111.032 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.41 HD11 ' HB2' ' A' ' 68' ' ' CYS . 24.1 mm -77.37 116.6 21.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.745 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 15.4 t70 -143.62 -163.4 1.65 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.619 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 33.5 mtmm -70.3 -23.65 62.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.166 0.508 . . . . 0.0 110.177 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.6 p -81.48 -50.54 9.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.509 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -102.36 8.79 40.16 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -170.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.619 ' NE ' ' HA ' ' A' ' 59' ' ' LYS . 11.1 ptp180 -53.67 -42.67 68.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.529 ' CB ' H5'' ' C' ' 19' ' ' ' DT' . 0.0 OUTLIER -96.63 -7.68 33.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.669 0.271 . . . . 0.0 111.48 -176.187 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -74.93 -43.13 55.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.431 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.562 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 68.3 m -119.69 91.49 44.98 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.011 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HB2' ' CG ' ' A' ' 47' ' ' TYR . 32.1 Cg_exo -59.39 -41.7 55.76 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.614 2.21 . . . . 0.0 111.722 176.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -47.0 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 40.5 m -67.43 -37.69 83.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.556 -178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.527 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 77.2 ttt180 -66.77 -37.3 84.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.322 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.37 -56.73 18.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.113 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -58.66 -35.49 72.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -58.24 -43.41 87.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.573 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 66.2 m -60.38 -51.11 70.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.233 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.618 ' HA ' ' O ' ' A' ' 78' ' ' MET . 7.6 mp -61.55 -30.15 70.47 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.637 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.0 m -65.12 -49.42 70.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.782 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.483 HG23 HD21 ' A' ' 27' ' ' LEU . 34.3 m -73.32 -18.29 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -171.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.84 -12.21 2.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.054 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.618 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 77.5 mtp -69.34 113.08 6.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -107.71 164.75 11.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.162 0.506 . . . . 0.0 111.832 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.63 -21.99 54.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.99 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.52 -17.65 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.138 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.73 2.02 53.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.666 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 41' ' ' VAL . 41.6 t -101.03 111.82 31.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 84' ' ' ARG . 57.3 mtt180 -80.32 89.27 5.53 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.514 174.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.51 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . . . -56.54 -21.76 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.457 171.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.02 -25.85 23.36 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.196 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 65.92 89.3 0.1 Allowed 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.554 0.742 . . . . 0.0 110.726 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.775 ' HB2' " H5'" ' B' ' 8' ' ' ' DG' . 75.8 mmm -98.45 -175.98 3.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.009 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.619 ' HB3' " H4'" ' C' ' 25' ' ' ' DT' . 0.2 OUTLIER -115.55 17.36 16.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.347 173.638 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.12 -160.95 28.13 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.478 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.558 ' HA2' " H1'" ' C' ' 26' ' ' ' DG' . . . 94.93 133.94 7.42 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.992 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.568 ' HE ' " H4'" ' B' ' 6' ' ' ' DA' . 80.2 mtp180 -66.72 150.57 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.496 ' HB2' H5'' ' B' ' 7' ' ' ' DG' . 60.3 t30 -65.41 152.72 43.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.264 -175.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.26 -21.8 66.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.722 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.456 ' HB3' ' SD ' ' A' ' 98' ' ' MET . 11.3 m-30 -79.58 38.77 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.815 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.54 -53.93 22.94 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.587 -0.563 . . . . 0.0 113.975 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.24 -54.96 4.33 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.786 2.324 . . . . 0.0 113.589 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.456 ' SD ' ' HB3' ' A' ' 95' ' ' PHE . 4.8 ppp? -69.7 -29.46 66.87 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.813 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.644 ' HE2' H5'' ' B' ' 6' ' ' ' DA' . 67.3 t80 -67.62 -44.23 78.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.129 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -63.95 -44.61 92.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.72 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.638 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 96.8 mtt180 -65.74 -45.72 81.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.89 -44.98 91.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 0.0 110.104 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.401 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 54.2 ttp180 -62.87 -37.56 87.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.605 178.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.799 ' HB1' ' HE3' ' A' ' 109' ' ' LYS . . . -69.43 -38.15 77.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.854 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 70.0 mt -73.76 -28.6 61.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.168 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.439 ' HE2' HD11 ' A' ' 28' ' ' LEU . 6.2 tmtm? -67.0 -43.5 82.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.98 173.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 108' ' ' GLN . 26.7 tt0 -74.61 -30.85 61.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.619 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 107' ' ' GLN . 10.3 mm100 67.62 102.22 0.05 OUTLIER 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.95 0.781 . . . . 0.0 111.023 -177.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.799 ' HE3' ' HB1' ' A' ' 104' ' ' ALA . 98.4 mttt -72.39 -32.55 66.5 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.375 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -121.08 147.55 45.39 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.783 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.557 -0.735 . . . . 0.0 109.765 177.673 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.505 H2'' ' C8 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.552 0 O5'-C5'-C4' 111.69 1.064 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.505 ' C8 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-N19 109.27 1.837 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.443 " H2'" ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 107.055 0.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.443 ' H72' " H2'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C4'-C3'-C2' 104.722 1.522 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.402 ' OP2' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 P-O3'-C3' 120.869 0.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.644 H5'' ' HE2' ' A' ' 99' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-N19 108.71 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.675 ' OP2' ' HA ' ' A' ' 24' ' ' HIS . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C4'-C3'-C2' 104.429 1.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.859 H2'' ' OP2' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 109.093 1.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.859 ' OP2' H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 P-O3'-C3' 122.262 2.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.572 " O4'" " H1'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 104.601 -1.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.596 ' H6 ' " O5'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 O4'-C1'-C2' 107.528 1.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.504 ' H8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C4'-C3'-C2' 104.201 1.001 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.496 H2'' ' C8 ' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C1'-N19 108.484 0.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.856 " H1'" " H5'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-N19 108.433 0.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.856 " H5'" " H1'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 P-O3'-C3' 121.269 1.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.794 " H1'" " H5'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.568 0 O5'-C5'-C4' 111.991 1.279 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.794 " H5'" " H1'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 107.102 0.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.544 H2'' ' OP2' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-N19 108.856 1.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.544 ' OP2' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-N19 108.567 0.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 1.063 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C4'-C3'-C2' 104.482 1.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 1.063 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 P-O3'-C3' 121.722 1.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.998 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 107.023 0.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.998 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 P-O3'-C3' 120.872 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.589 ' C6 ' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-N19 108.187 0.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.619 " H4'" ' HB3' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C4'-C3'-C2' 104.61 1.41 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.558 " H1'" ' HA2' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 104.361 -1.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.543 ' C8 ' H2'' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C3'-C2'-C1' 101.976 -0.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.544 " H1'" " H5'" ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C3'-C2'-C1' 102.025 -0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 0.605 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C4'-C3'-C2' 102.705 -0.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.605 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 107.269 1.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 121.438 0.637 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -94.8 161.62 14.1 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.107 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -117.03 150.38 38.72 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.4 m -60.41 128.98 88.75 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.24 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HB2' HG21 ' A' ' 76' ' ' VAL . 73.7 Cg_endo -71.7 12.3 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 123.371 2.714 . . . . 0.0 113.096 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.661 HG13 ' H ' ' A' ' 16' ' ' CYS . 2.4 p -131.93 -69.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.583 176.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.661 ' H ' HG13 ' A' ' 15' ' ' VAL . 29.9 p -77.91 -18.41 56.15 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -176.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.26 9.74 86.22 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.826 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.41 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 10.4 m-20 -78.31 158.74 28.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.676 0.274 . . . . 0.0 111.033 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -63.24 134.08 55.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.925 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.96 143.0 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.24 0.543 . . . . 0.0 111.551 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 t -105.34 25.63 10.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.86 175.51 19.92 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.305 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CD2' ' HD3' ' A' ' 103' ' ' ARG . 80.1 t80 -80.26 117.12 20.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.483 ' HA ' ' OH ' ' A' ' 99' ' ' TYR . 93.8 m-70 -143.68 135.89 26.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.95 -176.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 24' ' ' HIS . 3.4 m-85 75.31 -35.12 0.27 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.457 0.703 . . . . 0.0 112.681 172.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.02 -26.2 0.17 Allowed Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 111.805 -0.518 . . . . 0.0 111.805 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -127.4 -175.26 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 mp -93.47 119.45 32.56 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 171.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 33' ' ' CYS . 20.1 p -137.55 158.23 44.82 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -173.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.4 p -83.82 178.44 7.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.986 0.422 . . . . 0.0 111.229 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -63.61 -38.31 90.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.086 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.959 ' HB3' " H2'" ' C' ' 20' ' ' ' DG' . 0.1 OUTLIER -64.15 -36.29 83.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.267 179.089 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.492 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 98.0 m -62.45 -53.31 56.68 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.658 0.266 . . . . 0.0 110.476 176.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -59.67 -44.17 93.7 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.995 0.426 . . . . 0.0 110.803 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -63.87 -55.83 22.3 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.53 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.406 ' CD2' ' HD2' ' A' ' 69' ' ' ARG . 92.7 t80 -62.79 -37.57 87.19 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.497 0.189 . . . . 0.0 111.222 -177.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 41' ' ' VAL . 32.3 t80 -58.41 -53.3 59.85 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.693 ' HG2' HG13 ' A' ' 83' ' ' VAL . 26.1 mtmm -64.79 -41.58 95.73 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.531 -0.467 . . . . 0.0 111.411 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 36.2 mmt180 -49.48 -44.66 46.14 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.928 0.394 . . . . 0.0 111.418 177.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.1 m -71.04 -48.15 54.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.24 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.64 ' HB ' HG11 ' A' ' 83' ' ' VAL . 20.8 t -70.38 -41.89 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.755 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -58.47 -40.82 83.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.173 0.511 . . . . 0.0 110.729 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.412 ' CB ' ' HE2' ' A' ' 45' ' ' LYS . 4.3 m-20 -90.28 -0.65 57.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.728 -177.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 p30 44.2 43.28 5.69 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.729 0.812 . . . . 0.0 111.293 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HE2' ' CB ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -99.27 162.14 13.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.051 -176.085 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -129.28 147.85 51.15 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.656 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 83.5 m-85 -107.48 156.23 19.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.084 0.468 . . . . 0.0 111.557 -173.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.0 m -105.11 129.08 53.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.839 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.5 t -98.0 -52.88 3.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.777 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.9 m 72.56 -38.33 0.42 Allowed 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.59 0.556 . . . . 0.0 112.286 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.85 -56.02 23.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.734 0.302 . . . . 0.0 111.617 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 28.3 t -168.25 -26.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.833 -175.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 52' ' ' SER . 89.3 mt-30 76.22 -42.4 0.44 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.344 0.658 . . . . 0.0 110.687 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -85.35 31.64 0.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.299 177.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.9 m -68.41 158.8 32.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.123 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -91.77 109.34 20.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.155 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 68' ' ' CYS . 43.2 mm -84.59 112.64 22.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.624 176.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 2.2 p-10 -127.5 -168.04 1.83 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.284 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.57 -29.21 70.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.535 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 57.4 p -90.29 -50.84 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.415 ' HG2' ' NH1' ' A' ' 64' ' ' ARG . 65.5 mt-30 -83.25 5.95 21.25 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.501 ' HA ' HG23 ' A' ' 57' ' ' ILE . 14.7 ptt180 -53.13 -36.91 61.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.081 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.756 ' HB2' H5'' ' C' ' 19' ' ' ' DT' . 0.1 OUTLIER -95.55 -6.37 40.57 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -175.4 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.415 ' NH1' ' HG2' ' A' ' 61' ' ' GLN . 97.1 mtt180 -81.66 -38.77 25.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.447 -174.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.452 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 81.7 m -119.26 95.44 49.3 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.794 0.33 . . . . 0.0 111.293 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 26.7 Cg_endo -64.6 -37.72 35.82 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.472 2.114 . . . . 0.0 111.235 175.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.656 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 87.6 t80 -61.01 -53.64 54.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.523 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.548 ' HB2' HD11 ' A' ' 57' ' ' ILE . 34.1 m -64.15 -33.73 76.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.921 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.742 HH21 ' HA ' ' A' ' 63' ' ' LYS . 28.6 ttm180 -63.56 -52.18 62.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.135 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.43 -44.36 97.26 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.935 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -60.89 -39.08 87.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.916 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.908 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 55.7 tttt -72.44 -27.91 62.62 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 121.111 -0.235 . . . . 0.0 111.494 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 74.7 m -59.98 -46.99 87.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.741 HD21 HD13 ' A' ' 80' ' ' LEU . 28.6 mt -70.24 -39.53 74.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.09 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.908 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 3.1 m -50.52 -51.96 42.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.911 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -70.73 -17.99 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.734 -176.801 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.43 25.56 6.28 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 119.872 -1.156 . . . . 0.0 113.548 174.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.0 mmm -75.01 118.43 17.96 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -59.92 118.97 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.741 HD13 HD21 ' A' ' 74' ' ' LEU . 17.5 tp -69.06 -33.42 73.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.477 0.656 . . . . 0.0 109.891 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.34 -5.29 10.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.743 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HA ' HD22 ' A' ' 93' ' ' ASN . . . -79.68 3.3 19.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.14 0.495 . . . . 0.0 110.713 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.693 HG13 ' HG2' ' A' ' 38' ' ' LYS . 58.7 t -102.21 98.76 7.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.447 175.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.531 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -80.01 71.59 6.73 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.509 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.32 -4.16 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.402 -171.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -89.58 15.57 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.47 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.917 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 7.4 mmm180 65.28 70.36 0.46 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.404 175.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.496 ' HB3' ' HG2' ' A' ' 84' ' ' ARG . 13.7 tpt -147.71 121.47 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.444 174.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.754 ' HG2' " O4'" ' B' ' 8' ' ' ' DG' . 63.3 mtt180 -92.27 60.91 3.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.366 0.603 . . . . 0.0 111.718 -173.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.589 ' HA2' " C5'" ' C' ' 27' ' ' ' DA' . . . -84.06 127.13 7.93 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.051 177.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.466 ' O ' " H5'" ' B' ' 7' ' ' ' DG' . . . -66.1 -26.8 72.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.41 -0.424 . . . . 0.0 113.252 -176.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.772 ' HB2' H5'' ' C' ' 28' ' ' ' DG' . 41.1 mtm180 -130.66 118.7 21.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.313 0.578 . . . . 0.0 111.28 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.586 HD22 ' HA ' ' A' ' 82' ' ' ALA . 54.7 m-20 -80.57 -162.34 0.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.649 173.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.439 ' HE2' ' CA ' ' A' ' 94' ' ' LYS . 10.3 mmpt? -67.68 -24.6 65.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.357 . . . . 0.0 111.418 -172.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -89.46 16.6 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.1 0.476 . . . . 0.0 110.434 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.54 -50.74 47.11 Favored Glycine 0 CA--C 1.526 0.739 0 CA-C-N 115.712 -0.677 . . . . 0.0 114.155 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 73.8 Cg_exo -52.43 -56.36 2.95 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.545 2.163 . . . . 0.0 113.19 177.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.8 ptm -64.61 -33.33 75.67 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.818 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 24' ' ' HIS . 60.9 t80 -60.23 -47.07 87.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.255 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 1.093 ' HE3' H5'' ' C' ' 29' ' ' ' DC' . 9.2 mtpm? -66.9 -38.58 86.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.924 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 97' ' ' PRO . 22.0 mtm180 -61.02 -51.79 67.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.776 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 27.5 t70 -60.82 -43.23 98.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.649 -178.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.454 ' HD3' ' CD2' ' A' ' 23' ' ' TYR . 28.9 tpt180 -64.0 -44.22 93.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.36 -50.52 65.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.138 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.38 -21.67 63.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.344 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 102' ' ' ASP . 43.2 tttp -67.01 -38.97 86.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.35 176.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -92.33 -35.3 13.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.215 0.531 . . . . 0.0 110.498 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -100.42 93.18 5.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.549 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -102.35 170.07 8.3 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.665 -176.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 111' ' ' ALA . 0.3 OUTLIER -78.98 134.87 36.8 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.395 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.437 ' N ' ' HD2' ' A' ' 110' ' ' LYS . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.192 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.839 " H1'" " H5'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O5'-C5'-C4' 111.487 0.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.839 " H5'" " H1'" ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C4'-C3'-C2' 102.551 -0.649 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.595 " C2'" ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 P-O3'-C3' 120.58 0.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.768 H2'' ' C6 ' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 P-O3'-C3' 120.504 0.67 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.798 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C4'-C3'-C2' 104.849 1.649 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.798 ' C8 ' H2'' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C4'-C3'-C2' 104.482 1.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.68 ' H21' ' HD3' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-N19 108.323 0.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.754 " O4'" ' HG2' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 C3'-C2'-C1' 105.058 1.684 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.917 H5'' ' HD2' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 C4'-C3'-C2' 104.048 0.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.751 ' C5 ' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.392 0.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 107.381 1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.737 H2'' ' OP2' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 107.236 1.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.737 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 P-O3'-C3' 121.497 1.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.509 H2'' ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-C2' 107.029 0.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.509 ' OP2' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 107.293 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.546 " H2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 O5'-C5'-C4' 111.7 1.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.821 " H1'" " H5'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C4'-C3' 106.575 0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.821 " H5'" " H1'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-C1' 104.612 1.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.756 H5'' ' HB2' ' A' ' 63' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 104.932 1.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.959 " H2'" ' HB3' ' A' ' 32' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C1'-N19 108.863 1.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 P-O3'-C3' 120.279 0.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.455 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C4'-C3'-C2' 104.782 1.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.584 " H1'" " H5'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 P-O3'-C3' 120.974 1.062 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.809 " H1'" " H5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 P-O3'-C3' 120.495 0.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.809 " H5'" " H1'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-C2' 107.13 0.936 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.688 ' H8 ' H2'' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-N19 108.904 1.381 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.589 " C5'" ' HA2' ' A' ' 90' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-C2' 107.477 1.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.772 H5'' ' HB2' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C4'-C3'-C2' 104.525 1.325 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 1.093 H5'' ' HE3' ' A' ' 100' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 106.983 0.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.664 ' OP2' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 P-O3'-C3' 120.937 1.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.639 ' HG3' ' HG ' ' A' ' 28' ' ' LEU . 61.5 mm-40 -141.13 162.54 35.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.324 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.8 mt -132.4 148.99 52.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.148 172.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.6 t -68.37 117.05 46.0 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.12 -8.01 21.54 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.904 2.403 . . . . 0.0 112.625 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -87.25 -55.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.209 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.49 -16.21 11.94 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -170.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.16 23.47 48.37 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.597 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -102.95 -172.17 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 73.5 mmtt -72.52 172.42 10.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.517 HG11 ' HB3' ' A' ' 28' ' ' LEU . 16.4 m -112.91 160.28 12.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.028 0.442 . . . . 0.0 111.1 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 t -109.62 10.56 24.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.425 0.631 . . . . 0.0 109.532 179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.61 -171.93 14.0 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.803 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -80.77 105.7 12.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.976 0.417 . . . . 0.0 109.966 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.523 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 94.5 m-70 -134.73 130.93 36.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.613 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 65.93 15.72 10.18 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.967 173.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.8 -11.55 27.5 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.466 176.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.23 175.05 9.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.072 0.436 . . . . 0.0 111.086 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.639 ' HG ' ' HG3' ' A' ' 11' ' ' GLU . 3.2 mm? -81.58 102.81 10.87 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 172.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 17.2 p -126.34 152.63 45.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.275 -174.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.535 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 1.6 p -96.42 159.66 14.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.161 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.708 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 12.6 tp10 -73.27 -6.84 48.64 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -177.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.918 ' HA ' " H2'" ' C' ' 20' ' ' ' DG' . 22.3 p -74.87 -45.4 43.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.185 0.517 . . . . 0.0 109.693 173.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.2 m -77.58 -40.6 41.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.909 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.708 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 49.4 tttm -63.22 -33.01 74.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.676 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.56 ' HA2' ' NZ ' ' A' ' 38' ' ' LYS . . . -63.15 -53.33 40.81 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.447 ' HD1' ' OP2' ' C' ' 19' ' ' ' DT' . 80.2 t80 -59.07 -47.04 86.68 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.657 0.269 . . . . 0.0 110.473 176.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.474 ' O ' HG22 ' A' ' 41' ' ' VAL . 42.8 t80 -53.96 -52.43 60.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.087 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.706 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 32.3 mtmm -62.36 -50.63 70.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.77 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.722 ' HG3' ' H71' ' C' ' 19' ' ' ' DT' . 9.1 mmt180 -58.9 -30.39 67.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 111.398 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.951 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 73.5 m -70.63 -54.53 11.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.987 177.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.813 HG21 HG21 ' A' ' 83' ' ' VAL . 12.0 m -65.07 -39.75 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 38' ' ' LYS . 59.1 mt-30 -55.64 -42.21 74.65 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.616 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.605 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 48.3 m-80 -97.98 -0.23 45.15 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.886 -176.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 62.78 33.08 15.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.181 0.515 . . . . 0.0 109.864 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.951 ' HE2' ' HA ' ' A' ' 40' ' ' THR . 44.2 mtmt -66.38 126.48 28.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.869 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -135.18 120.36 18.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -114.2 177.97 4.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 p -138.58 151.57 47.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.883 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 49.7 t -108.85 -27.79 9.54 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.027 -177.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.746 HG22 ' HG3' ' A' ' 51' ' ' GLU . 54.2 m 70.45 146.23 0.06 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.142 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.746 ' HG3' HG22 ' A' ' 50' ' ' THR . 38.6 mt-10 76.48 -91.68 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.837 0.855 . . . . 0.0 111.618 175.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 54' ' ' SER . 33.6 t -90.16 -55.52 3.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.54 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 27.3 mt-30 70.72 -17.38 0.29 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.615 0.766 . . . . 0.0 112.222 177.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 52' ' ' SER . 21.5 t -93.64 70.58 4.19 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.1 m -96.13 149.07 22.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.154 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -80.2 153.39 28.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.11 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.492 HG13 ' HA ' ' A' ' 69' ' ' ARG . 49.1 mm -115.45 110.87 33.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.04 0.448 . . . . 0.0 110.727 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -129.55 -166.32 1.64 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.68 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -54.64 -38.86 67.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.113 0.482 . . . . 0.0 111.268 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.2 p -89.46 -49.51 6.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.091 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -78.56 -2.45 38.91 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.424 ' HA ' HG23 ' A' ' 57' ' ' ILE . 34.8 ptt180 -67.72 -30.93 70.55 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.405 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.884 ' HE2' " H4'" ' C' ' 19' ' ' ' DT' . 91.5 mttt -95.98 -8.86 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.668 0.271 . . . . 0.0 111.34 175.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -85.06 -38.9 18.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.671 0.272 . . . . 0.0 111.662 -174.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.496 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 68.8 m -122.98 95.03 46.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.882 0.372 . . . . 0.0 111.524 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 26.6 Cg_endo -64.13 -45.73 9.46 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.502 2.135 . . . . 0.0 111.946 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.04 -48.97 79.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.757 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 34.8 m -63.17 -35.59 80.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.646 -178.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.492 ' HA ' HG13 ' A' ' 57' ' ' ILE . 74.8 ttt180 -70.89 -40.88 71.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.869 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -61.48 -49.07 78.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.156 0.503 . . . . 0.0 109.979 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -64.65 -33.37 75.78 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.528 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -59.8 -46.02 90.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.342 . . . . 0.0 110.371 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.501 ' O ' HG22 ' A' ' 76' ' ' VAL . 64.2 m -59.64 -44.37 93.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.241 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -71.21 -31.29 67.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.313 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.2 m -58.6 -49.49 77.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.802 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 73' ' ' CYS . 16.4 m -67.24 -18.62 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.329 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.16 21.95 7.1 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.174 -1.013 . . . . 0.0 113.071 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 73' ' ' CYS . 85.7 mtp -65.96 109.8 2.67 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -58.25 109.92 0.85 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.783 -173.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 tp -71.41 -31.76 67.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.704 178.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.731 ' HG3' ' HZ ' ' A' ' 95' ' ' PHE . 10.6 pt-20 -78.13 -2.28 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.424 177.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.92 -38.73 19.03 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.851 0.358 . . . . 0.0 110.693 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.813 HG21 HG21 ' A' ' 41' ' ' VAL . 4.0 p -78.49 113.89 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 121.692 0.758 . . . . 0.0 110.676 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -104.05 103.29 13.09 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.186 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 42' ' ' GLN . . . -76.01 1.48 15.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.175 -170.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.63 -82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.047 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.698 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 11.1 tpt180 -172.96 31.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.506 0.67 . . . . 0.0 109.644 172.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.669 ' O ' H5'' ' B' ' 8' ' ' ' DG' . 71.7 mmm -96.73 105.08 17.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.056 0.455 . . . . 0.0 110.589 -178.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.714 ' HA ' " C5'" ' B' ' 8' ' ' ' DG' . 14.7 mtm180 -80.75 59.86 3.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.462 -175.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.688 ' HA2' " H4'" ' B' ' 7' ' ' ' DG' . . . 128.1 -128.09 5.91 Favored Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.993 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.72 ' HA2' " H4'" ' C' ' 27' ' ' ' DA' . . . 92.58 62.55 1.14 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.761 ' HB3' H5'' ' C' ' 28' ' ' ' DG' . 32.0 ttm180 -81.17 86.14 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -136.93 -56.6 0.72 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.037 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -61.82 -34.13 75.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.107 0.479 . . . . 0.0 110.758 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.731 ' HZ ' ' HG3' ' A' ' 81' ' ' GLU . 72.2 m-85 -100.79 11.13 40.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.723 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.449 ' O ' ' HG2' ' A' ' 100' ' ' LYS . . . -50.62 -64.22 3.85 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 116.065 -0.516 . . . . 0.0 113.465 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.63 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 36.1 Cg_exo -58.23 -48.26 16.57 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.748 2.298 . . . . 0.0 113.387 -177.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -71.64 -34.31 69.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.436 ' OH ' H5'' ' B' ' 6' ' ' ' DA' . 83.6 t80 -69.6 -48.12 61.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 0.0 110.357 -178.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.63 ' HE2' ' HA ' ' A' ' 97' ' ' PRO . 62.8 pttt -68.15 -33.94 75.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.501 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.592 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 45.4 ttm180 -64.71 -57.18 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.766 -178.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -41.58 90.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.388 . . . . 0.0 110.916 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -65.03 -39.08 92.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.033 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.44 -37.3 60.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 71.4 mt -63.6 -38.17 90.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.776 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -66.81 -29.46 69.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.595 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -80.05 -65.98 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.096 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 53.92 34.97 20.69 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.278 -170.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -84.05 -25.52 29.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.504 -178.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -67.75 102.18 1.17 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.482 174.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.155 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.21 177.872 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.431 ' C6 ' ' C6 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.432 -0.517 0 O5'-C5'-C4' 111.866 1.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.672 H2'' ' C5 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-N19 108.68 1.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.979 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 O4'-C1'-N19 108.26 0.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.979 ' H71' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 107.12 0.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.728 " H5'" " H1'" ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-N19 109.079 1.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.569 ' OP2' H2'' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.243 1.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.688 " H4'" ' HA2' ' A' ' 90' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C4'-C3'-C2' 104.543 1.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.714 " C5'" ' HA ' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-C2' 107.54 1.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.698 H5'' ' HD2' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 P-O3'-C3' 121.599 1.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.638 ' C6 ' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C4'-C3' 106.575 0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.613 H2'' ' C8 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 O4'-C1'-C2' 107.479 1.254 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.613 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 101.197 -1.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.88 H2'' ' C8 ' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 107.022 0.838 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.88 ' C8 ' H2'' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C4'-C3'-C2' 102.617 -0.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.692 ' OP2' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 O4'-C1'-C2' 107.494 1.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.403 HO5' ' H6 ' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O5'-C5'-C4' 111.526 0.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.487 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-C2' 104.306 1.106 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.935 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-N19 108.628 1.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.935 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-C2' 107.38 1.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 1.023 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 109.118 1.647 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 1.023 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 P-O3'-C3' 120.796 0.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.633 ' C6 ' H2'' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 O4'-C4'-C3' 106.363 0.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.489 ' C5 ' ' C2 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 P-O3'-C3' 120.734 0.862 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.669 " H1'" " H5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.264 1.059 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.721 " H1'" " O4'" ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C3'-C2'-C1' 104.64 1.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.721 " O4'" " H1'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C4'-C3'-C2' 104.326 1.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.72 " H4'" ' HA2' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C3'-C2'-C1' 104.666 1.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.761 H5'' ' HB3' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 P-O3'-C3' 120.981 1.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 0.558 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C4'-C3'-C2' 104.317 1.117 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.558 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-C2' 106.992 0.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 N--CA 1.461 0.117 0 CA-C-O 121.079 0.466 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HG3' HD22 ' A' ' 28' ' ' LEU . 26.1 mm-40 -68.51 145.04 54.39 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.303 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.5 mt -111.36 147.14 35.81 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.751 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -71.85 114.56 29.8 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.884 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.78 7.46 1.97 Allowed 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.639 2.226 . . . . 0.0 113.042 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.5 t -95.7 -62.11 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.036 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.8 p -99.66 -16.11 18.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.006 -174.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.43 0.13 82.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.194 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.98 -177.26 6.34 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB3' ' HE2' ' A' ' 19' ' ' LYS . 45.6 mtpt -82.08 156.17 24.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.702 0.287 . . . . 0.0 110.438 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.8 m -93.37 158.78 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.503 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 p -108.04 -7.48 16.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.331 0.586 . . . . 0.0 109.917 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.26 -172.18 29.35 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.98 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -80.61 112.67 18.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.926 0.393 . . . . 0.0 110.023 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.577 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 50.6 m-70 -130.49 140.53 50.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 24' ' ' HIS . 42.3 m-85 69.37 -79.39 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.567 0.542 . . . . 0.0 111.277 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.21 21.06 0.56 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.537 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -175.68 -175.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.479 HD22 ' HG3' ' A' ' 11' ' ' GLU . 7.0 mp -81.63 118.99 23.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.326 0.584 . . . . 0.0 110.243 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 1.7 p -138.54 -171.38 3.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.872 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.5 p -131.01 156.14 45.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.32 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.639 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 3.6 mp0 -57.23 -23.41 47.79 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.978 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.9 t -61.18 -57.06 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.68 0.276 . . . . 0.0 110.366 177.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.0 m -71.7 -39.87 69.91 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.639 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 74.9 tttt -47.15 -56.07 7.3 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.563 0.697 . . . . 0.0 111.154 173.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.13 -42.89 66.04 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.557 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -60.52 -44.13 96.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.781 0.324 . . . . 0.0 110.571 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.512 ' O ' HG22 ' A' ' 41' ' ' VAL . 13.2 t80 -58.18 -49.71 76.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.228 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.482 ' HE3' " H2'" ' B' ' 8' ' ' ' DG' . 26.2 mtmm -62.94 -44.67 95.42 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.445 177.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.6 mtm-85 -64.95 -18.0 64.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.653 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 51.0 m -85.61 -49.1 8.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.861 0.362 . . . . 0.0 110.622 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.695 HG21 HG11 ' A' ' 83' ' ' VAL . 14.5 m -70.51 -39.97 76.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -56.27 -40.44 74.24 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.677 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 89.8 m-20 -92.3 4.67 52.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.683 -175.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 60.99 33.72 19.63 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.236 0.541 . . . . 0.0 110.091 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.677 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 55.2 mtpt -73.38 120.55 19.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.318 -174.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -120.88 151.69 39.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.544 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.723 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 79.0 m-85 -139.77 170.61 15.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.235 0.54 . . . . 0.0 111.372 -175.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.9 m -144.95 95.13 2.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.709 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.712 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 39.0 t -73.5 -14.9 61.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.428 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.619 HG22 ' HG3' ' A' ' 51' ' ' GLU . 14.3 m 75.39 145.91 0.09 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.705 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.619 ' HG3' HG22 ' A' ' 50' ' ' THR . 41.1 mt-10 70.96 -85.4 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.904 174.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.7 p -93.62 -33.5 13.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.685 0.279 . . . . 0.0 110.831 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.712 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 53.2 mt-30 64.67 9.75 5.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.798 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -151.56 85.72 1.32 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.42 0.629 . . . . 0.0 110.289 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.6 m -87.62 176.42 7.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.751 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -71.14 101.85 2.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.691 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 68' ' ' CYS . 37.9 mm -75.58 95.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -130.38 -171.87 2.66 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.31 -0.859 . . . . 0.0 108.995 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -56.52 -33.72 66.33 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 122.61 0.364 . . . . 0.0 111.721 -176.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.4 p -89.01 -25.78 21.81 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -115.24 -0.11 13.34 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -170.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -66.84 -31.07 71.45 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -176.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HE3' " O3'" ' C' ' 19' ' ' ' DT' . 58.2 mttp -95.82 -11.28 27.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.604 0.24 . . . . 0.0 111.275 176.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.407 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 81.9 mtt180 -84.65 -37.18 21.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.581 -174.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.4 m -113.99 93.39 29.62 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.788 0.327 . . . . 0.0 111.27 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 20.3 Cg_exo -66.05 -44.23 7.73 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.604 2.202 . . . . 0.0 111.757 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.723 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 32.1 t80 -64.83 -46.46 81.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.953 0.406 . . . . 0.0 110.586 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.537 ' HB2' HD11 ' A' ' 57' ' ' ILE . 55.9 m -61.08 -36.0 78.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.749 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -74.93 -37.25 62.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.514 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -58.28 -53.91 52.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.161 0.505 . . . . 0.0 109.696 174.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -58.96 -34.3 71.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.365 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.512 ' O ' ' HB ' ' A' ' 75' ' ' THR . 0.0 OUTLIER -65.72 -37.5 86.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 178.477 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 84.8 m -60.06 -50.5 73.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.66 -38.64 85.53 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.93 175.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 53.7 m -51.99 -52.33 51.25 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.834 178.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.4 m -75.79 -28.92 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.092 -171.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.13 10.26 1.16 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 119.973 -1.108 . . . . 0.0 113.434 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 75.7 mtp -81.81 109.19 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -89.18 147.05 24.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.376 -169.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 mt -71.64 -37.29 70.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.727 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HB2' ' HZ1' ' A' ' 94' ' ' LYS . 10.6 pt-20 -77.28 2.74 14.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.985 178.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.34 4.26 41.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.314 0.578 . . . . 0.0 109.622 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.695 HG11 HG21 ' A' ' 41' ' ' VAL . 90.7 t -90.11 114.5 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.97 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.514 ' HD2' " H4'" ' B' ' 8' ' ' ' DG' . 32.6 ttm180 -84.63 86.36 7.32 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.937 170.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.18 -2.02 57.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.098 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.91 -71.26 0.48 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.823 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 0.0 OUTLIER 176.43 141.6 0.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.943 175.68 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.94 ' H ' H5'' ' B' ' 9' ' ' ' DG' . 10.8 tpt -66.92 91.84 0.21 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.052 0.453 . . . . 0.0 109.926 174.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.898 ' HA ' H5'' ' C' ' 26' ' ' ' DG' . 68.1 mtm180 -146.17 -46.03 0.2 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.042 -175.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.4 ' O ' H5'' ' C' ' 27' ' ' ' DA' . . . -92.6 -178.6 40.99 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.635 -175.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.978 ' HA2' H5'' ' C' ' 27' ' ' ' DA' . . . -78.91 157.25 43.21 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.445 -0.407 . . . . 0.0 112.819 -176.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.763 ' HG3' " H4'" ' C' ' 27' ' ' ' DA' . 41.4 mtp180 -88.0 87.91 7.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.88 0.371 . . . . 0.0 110.342 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -86.46 -49.05 7.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.526 ' HZ3' ' HB3' ' A' ' 94' ' ' LYS . 7.6 mtpm? -57.51 -65.37 0.64 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.32 -174.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -97.66 51.69 1.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.321 0.582 . . . . 0.0 110.578 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.98 -73.39 1.19 Allowed Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.121 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.407 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 47.1 Cg_exo -58.08 -56.26 1.74 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.489 2.792 . . . . 0.0 113.384 -177.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 23.6 ptm -57.84 -31.75 66.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.901 0.381 . . . . 0.0 110.887 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -72.83 -51.35 19.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.835 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 97' ' ' PRO . 19.7 ptpt -59.63 -40.94 89.26 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.559 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.562 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 99.3 mtt180 -65.7 -56.66 10.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.91 -42.73 90.35 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.013 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.684 ' NH1' H5'' ' B' ' 6' ' ' ' DA' . 50.2 ttp180 -63.92 -39.31 93.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.637 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.33 -39.01 74.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.011 0.434 . . . . 0.0 110.931 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 78.6 mt -74.32 -23.78 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -80.55 -30.84 37.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.707 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -87.72 -6.87 58.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.203 0.525 . . . . 0.0 110.178 177.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -71.36 146.93 48.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.578 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.876 ' HE2' ' HA ' ' A' ' 109' ' ' LYS . 8.7 mmpt? -55.06 -71.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.539 0.209 . . . . 0.0 111.235 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -128.01 149.0 50.55 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.344 -179.266 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.612 H2'' ' H8 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O5'-C5'-C4' 111.529 0.95 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.883 H2'' ' C5 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-N19 109.017 1.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.883 ' C5 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C1'-O4'-C4' 110.354 0.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.646 " H5'" " H1'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C4'-C3'-C2' 102.511 -0.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.615 ' C5 ' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C1'-O4'-C4' 110.426 0.518 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.684 H5'' ' NH1' ' A' ' 103' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 P-O3'-C3' 120.945 1.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.754 " H1'" " H5'" ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C4'-C3' 106.559 0.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.754 " H5'" " H1'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 104.514 1.296 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.94 H5'' ' H ' ' A' ' 88' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C4'-C3'-C2' 102.425 -0.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.513 H2'' ' OP2' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C3'-C2'-C1' 101.573 -0.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.513 ' OP2' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 104.572 1.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.631 " H1'" " H5'" ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 P-O3'-C3' 120.47 0.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.638 H2'' ' OP2' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-C2' 107.294 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.638 ' OP2' H2'' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.543 1.312 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.404 ' H8 ' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C4'-C3'-C2' 104.323 1.123 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.671 ' H6 ' " O5'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O5'-C5'-C4' 111.697 1.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.651 H2'' ' H8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 P-O3'-C3' 121.056 1.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.651 ' H8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-C2' 104.596 -1.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.675 " H1'" " H5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 107.505 1.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.792 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C4'-C3' 106.615 1.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.792 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C1'-C2' 106.92 0.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.705 " H5'" " H1'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-C2' 107.012 0.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.594 H2'' ' C5 ' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-N19 108.515 0.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.594 ' C5 ' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 P-O3'-C3' 120.576 0.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.907 " H1'" " H5'" ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 107.618 1.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.907 " H5'" " H1'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C1'-C2' 104.577 -1.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.978 H5'' ' HA2' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-C2' 107.588 1.353 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.878 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 P-O3'-C3' 120.545 0.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 0.749 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C4'-C3' 106.34 0.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.749 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-N19 108.278 0.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 CA--C 1.517 -0.311 0 CA-C-O 121.286 0.565 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' HG22 ' A' ' 20' ' ' VAL . 31.2 mt-10 -105.32 149.9 25.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.306 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 17' ' ' GLY . 5.7 mp -111.5 159.89 17.66 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.427 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.454 ' HB2' ' H ' ' A' ' 17' ' ' GLY . 75.2 m -62.99 131.37 94.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.812 -175.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -70.08 -4.6 14.58 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.959 2.439 . . . . 0.0 112.386 176.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.685 HG13 ' H ' ' A' ' 16' ' ' CYS . 2.0 p -104.04 -74.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.624 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.685 ' H ' HG13 ' A' ' 15' ' ' VAL . 25.0 p -80.15 -53.54 6.59 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.538 -176.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.485 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 126.19 -1.02 7.7 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.238 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.446 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 21.4 m-20 -75.02 155.1 37.66 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.323 0.561 . . . . 0.0 109.88 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -63.81 136.79 57.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.303 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 11' ' ' GLU . 27.0 m -72.94 148.0 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.881 -173.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.6 t -108.29 -0.27 20.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.096 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' LEU . . . 135.34 -165.51 24.69 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.291 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -80.95 111.78 17.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.493 0.187 . . . . 0.0 110.575 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.74 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 38.1 m-70 -133.22 115.55 15.13 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.705 177.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.742 ' CE1' " H3'" ' B' ' 7' ' ' ' DG' . 59.5 m-85 71.42 1.19 3.75 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.867 0.729 . . . . 0.0 112.733 168.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.15 -60.11 0.19 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.987 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.47 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -146.95 -165.22 2.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.776 0.322 . . . . 0.0 111.14 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.538 HD11 ' HE3' ' A' ' 106' ' ' LYS . 31.5 mt -58.08 112.08 1.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.685 178.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.74 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 15.9 p -138.55 161.57 36.73 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.401 177.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 32.0 p -90.25 171.56 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 27.2 mm-40 -70.54 -18.81 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.127 178.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.579 ' HB2' ' OP2' ' C' ' 21' ' ' ' DG' . 19.9 t -69.5 -44.76 70.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.4 m -61.5 -51.56 68.15 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.214 0.53 . . . . 0.0 109.618 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 30.8 tttm -59.06 -46.24 88.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.673 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 39' ' ' ARG . . . -62.87 -48.73 78.53 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.346 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -64.19 -37.05 86.08 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.43 -45.04 94.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.263 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 42' ' ' GLN . 6.4 mtmp? -62.37 -45.16 94.4 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.226 176.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 96.1 mtt-85 -59.4 -34.03 71.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -178.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.7 m -78.63 -57.72 3.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.268 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.8 t -67.54 -46.69 82.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -173.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 13.9 mt-30 -67.38 -32.04 72.69 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -91.99 0.46 57.47 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.783 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 54.0 45.13 28.26 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.606 0.566 . . . . 0.0 110.73 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -77.59 155.93 31.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.71 -175.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -134.68 146.43 49.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.86 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -132.18 168.2 18.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.611 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.8 m -154.91 122.86 5.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.39 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.727 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 50.2 t -99.01 138.27 36.35 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.1 m -95.09 -13.61 24.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.125 0.488 . . . . 0.0 110.875 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.578 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 8.5 mm-40 -78.96 -81.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.58 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 54' ' ' SER . 9.3 t -142.96 16.73 1.94 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 -176.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.727 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 46.5 mt-30 70.37 -33.78 0.27 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.345 0.658 . . . . 0.0 111.94 -178.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 52' ' ' SER . 25.2 m -129.85 89.0 2.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.385 0.612 . . . . 0.0 109.765 175.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 51' ' ' GLU . 50.0 m -89.3 -175.36 4.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.796 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -63.85 141.2 58.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.932 175.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.8 mm -105.96 122.32 59.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.092 0.472 . . . . 0.0 109.96 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.562 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 24.1 t70 -150.78 179.57 8.1 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -174.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -58.25 -41.25 83.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.28 0.363 . . . . 0.0 111.096 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.1 t -88.6 -36.5 16.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.112 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.562 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 15.1 mm100 -64.29 -31.26 72.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.828 -175.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.483 ' HB2' ' HD2' ' A' ' 69' ' ' ARG . 37.4 ptt180 -68.63 -14.83 63.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.376 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.782 ' HE3' H5'' ' C' ' 19' ' ' ' DT' . 50.8 mtpt -95.76 -41.66 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.061 0.458 . . . . 0.0 109.918 174.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -65.71 -42.73 90.77 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.078 -178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.611 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.9 m -120.38 81.07 30.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.982 178.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.45 -26.79 47.34 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.382 2.055 . . . . 0.0 111.249 176.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -65.2 -50.41 66.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.068 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.611 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 34.7 m -60.79 -41.25 95.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.207 0.527 . . . . 0.0 110.246 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HD2' ' HB2' ' A' ' 62' ' ' ARG . 74.4 ttt180 -60.85 -52.67 64.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.66 177.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -60.06 -45.91 91.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.956 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -56.72 -43.53 80.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.192 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.674 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 34.4 ttmt -72.08 -27.45 62.67 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.999 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.5 m -56.9 -51.06 70.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.82 -31.61 72.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.674 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 35.5 m -58.88 -48.32 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.861 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.53 -23.76 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.573 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.67 7.29 2.14 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.073 -1.06 . . . . 0.0 113.901 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.513 ' SD ' HG21 ' A' ' 29' ' ' THR . 85.1 mtp -75.69 135.89 40.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.397 0.599 . . . . 0.0 110.147 177.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -118.05 149.32 41.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.291 -176.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.6 mt -75.57 -30.68 59.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.416 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -56.79 -25.61 55.96 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.951 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.54 -25.95 62.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.069 0.462 . . . . 0.0 110.717 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.447 HG22 ' CE1' ' A' ' 25' ' ' TYR . 46.0 t -78.84 106.56 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.373 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.445 ' HE ' ' HA2' ' A' ' 91' ' ' GLY . 79.9 mtt-85 -86.27 82.23 8.09 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.29 -4.97 6.05 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -170.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.5 -89.87 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.642 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 15.1 tpp180 -163.12 27.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.539 ' O ' H5'' ' B' ' 8' ' ' ' DG' . 17.0 mmt -89.43 114.7 26.2 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.324 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.591 ' HB3' ' N2 ' ' B' ' 7' ' ' ' DG' . 26.7 mtp180 -91.18 36.58 0.92 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.342 -170.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.523 ' O ' " H4'" ' C' ' 27' ' ' ' DA' . . . -162.87 104.87 0.24 Allowed Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.067 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.493 ' HA3' " H5'" ' B' ' 7' ' ' ' DG' . . . -97.15 39.25 2.83 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.942 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.618 ' HD2' ' O2 ' ' B' ' 5' ' ' ' DC' . 37.9 mtp180 -86.0 178.15 7.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.6 -0.353 . . . . 0.0 110.746 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.463 ' HB2' " C5'" ' C' ' 28' ' ' ' DG' . 65.4 t30 72.01 -52.56 0.7 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.017 0.927 . . . . 0.0 111.917 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -55.47 -48.98 73.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.931 0.396 . . . . 0.0 110.63 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.536 ' O ' ' HG2' ' A' ' 98' ' ' MET . 90.2 m-85 -117.72 13.77 14.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.319 0.581 . . . . 0.0 109.778 174.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.87 -47.85 58.44 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.287 -0.869 . . . . 0.0 114.097 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -51.62 -43.46 50.51 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.802 2.335 . . . . 0.0 113.482 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 28.5 ptm -73.86 -30.17 62.51 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.742 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.498 ' HB3' ' OP1' ' B' ' 6' ' ' ' DA' . 22.6 m-85 -67.56 -47.8 68.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.964 0.411 . . . . 0.0 110.69 179.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.33 -31.44 67.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.001 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.448 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 58.9 ttt180 -67.5 -46.06 74.03 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.188 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.11 -38.73 92.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.204 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.448 ' HD2' ' OE1' ' A' ' 107' ' ' GLN . 18.5 tpp85 -58.63 -44.13 89.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.246 175.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.94 -24.41 64.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.203 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 93.3 mt -77.74 -45.67 24.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.818 0.342 . . . . 0.0 110.721 177.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.538 ' HE3' HD11 ' A' ' 28' ' ' LEU . 66.3 mttm -67.97 -46.94 69.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.866 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.448 ' OE1' ' HD2' ' A' ' 103' ' ' ARG . 15.6 mt-30 -75.68 -48.81 20.45 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.218 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 62.04 -78.98 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.928 0.768 . . . . 0.0 111.909 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -105.92 95.2 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.668 ' HD3' ' H ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -90.92 -11.6 38.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.807 -177.254 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.571 -0.728 . . . . 0.0 109.859 178.786 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.54 H2'' ' OP2' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O5'-C5'-C4' 111.608 1.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.756 " H1'" " H5'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O4'-C1'-C2' 107.087 0.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.756 " H5'" " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-C2' 106.961 0.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 1.06 " H1'" " H5'" ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C4'-C3'-C2' 104.447 1.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 1.06 " H5'" " H1'" ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-C2' 107.436 1.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.616 " H4'" ' HG2' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 104.378 1.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.777 " H1'" " H5'" ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C4'-C3'-C2' 102.472 -0.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.777 " H5'" " H1'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C4'-C3'-C2' 102.354 -0.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.653 ' OP2' H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 102.628 -0.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.909 " H1'" " H5'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 P-O3'-C3' 120.695 0.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.909 " H5'" " H1'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-C1' 104.939 1.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.477 H2'' ' OP2' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 P-O3'-C3' 120.737 0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.477 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C4'-C3'-C2' 104.291 1.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.838 H2'' ' C8 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 O4'-C4'-C3' 104.488 -1.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.838 ' C8 ' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 P-O3'-C3' 120.382 0.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.542 H2'' ' H71' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O5'-C5'-C4' 111.833 1.166 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.542 ' H71' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-N19 108.488 0.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.807 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 C4'-C3'-C2' 102.654 -0.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.807 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 P-O3'-C3' 121.332 1.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C4'-C3'-C2' 104.458 1.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.579 ' OP2' ' HB2' ' A' ' 32' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 P-O3'-C3' 120.819 0.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.619 H2'' ' C6 ' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 P-O3'-C3' 120.911 1.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.764 " H1'" " H5'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-N19 108.6 1.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.764 " H5'" " H1'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-C2' 107.348 1.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.725 ' C6 ' H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C4'-C3'-C2' 104.418 1.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.943 " H1'" " H5'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-N19 108.654 1.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.943 " H5'" " H1'" ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.575 1.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.705 H2'' ' OP2' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 105.058 -0.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 0.705 ' OP2' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 P-O3'-C3' 120.915 1.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.7 ' C6 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C4'-C3'-C2' 104.071 0.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' HG22 ' A' ' 20' ' ' VAL . 42.4 mt-10 -142.69 149.43 38.83 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.075 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.0 mp -121.0 155.87 33.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.901 -176.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.6 m -60.69 139.26 93.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.0 2.66 5.23 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.705 2.27 . . . . 0.0 112.568 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.696 HG13 ' H ' ' A' ' 16' ' ' CYS . 1.5 p -113.17 -76.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.468 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.696 ' H ' HG13 ' A' ' 15' ' ' VAL . 31.7 p -78.38 -31.67 48.53 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.559 -175.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 89.02 38.08 6.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.914 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.627 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 59.8 m-20 -110.34 157.58 19.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 117.022 0.411 . . . . 0.0 110.65 176.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 8.6 mmmt -51.69 120.04 4.82 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.756 0.66 . . . . 0.0 111.397 176.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 11' ' ' GLU . 3.8 m -62.61 135.85 26.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.869 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.5 t -98.95 -33.99 10.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.669 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.63 -170.56 38.22 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.769 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -77.32 108.78 10.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.732 0.301 . . . . 0.0 110.687 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.572 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 43.1 m-70 -132.77 122.3 24.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.739 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' HE1' ' HB ' ' A' ' 83' ' ' VAL . 92.4 m-85 69.78 -8.61 0.77 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.859 0.864 . . . . 0.0 113.235 169.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.1 -43.18 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.022 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -160.12 -168.31 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.722 0.261 . . . . 0.0 110.549 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.47 108.58 0.65 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.733 0.645 . . . . 0.0 111.266 174.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.572 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 7.1 p -136.58 164.18 28.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.961 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 18' ' ' ASP . 21.2 p -93.21 176.68 6.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.267 178.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -72.41 -19.8 61.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.722 ' OG ' " H3'" ' C' ' 20' ' ' ' DG' . 1.2 m -60.54 -47.75 84.79 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.093 174.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.3 m -64.8 -53.13 51.77 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.713 176.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HE2' ' N7 ' ' B' ' 8' ' ' ' DG' . 26.4 tttm -52.09 -48.73 64.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.113 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.77 -48.26 62.55 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.911 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -64.09 -40.36 96.06 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.018 0.437 . . . . 0.0 110.645 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 41' ' ' VAL . 23.9 t80 -57.94 -50.25 74.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.005 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.525 ' NZ ' H2'' ' B' ' 8' ' ' ' DG' . 37.9 mtmt -61.25 -44.17 97.68 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.729 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 75.1 mtp180 -58.95 -33.03 70.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 110.659 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.43 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 26.6 m -73.78 -60.72 2.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.972 178.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.718 HG21 HG21 ' A' ' 83' ' ' VAL . 15.7 m -63.71 -48.69 85.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -173.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.786 ' HG2' ' HA ' ' A' ' 85' ' ' ALA . 23.4 mt-30 -73.04 -33.71 65.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.408 . . . . 0.0 112.019 -172.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -84.19 2.48 39.54 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.007 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 58.26 42.58 21.56 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.536 0.684 . . . . 0.0 110.324 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 96.3 mttt -93.96 145.54 24.56 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.151 -176.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -137.26 130.11 30.39 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -105.48 176.59 5.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.861 0.362 . . . . 0.0 110.623 -175.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -137.25 -177.6 4.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.016 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 53' ' ' GLN . 52.7 t -122.87 156.63 34.23 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.151 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.412 HG23 ' HG3' ' A' ' 51' ' ' GLU . 14.7 t -109.58 3.65 21.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.229 0.538 . . . . 0.0 110.249 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.685 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 37.5 mt-10 -128.61 -145.45 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.026 -177.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 m -84.39 19.52 1.89 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 55.8 mt-30 74.09 -51.35 0.69 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.489 0.715 . . . . 0.0 112.143 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 p -88.06 70.19 9.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.743 0.782 . . . . 0.0 110.104 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.685 ' SG ' ' HB2' ' A' ' 51' ' ' GLU . 53.5 m -84.13 -176.65 6.36 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.719 -177.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 73.0 mmtt -91.78 116.22 28.71 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.972 174.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.59 103.23 9.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.429 0.633 . . . . 0.0 109.859 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.618 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -119.23 176.71 5.19 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.223 -179.223 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -62.98 -37.4 86.99 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.993 0.425 . . . . 0.0 110.814 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.4 t -88.94 -35.08 16.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.618 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 82.7 mm-40 -70.94 -24.3 62.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.693 0.282 . . . . 0.0 111.56 -175.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -70.25 -15.67 62.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -176.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.854 ' HE2' H5'' ' C' ' 19' ' ' ' DT' . 91.4 mttt -96.01 -11.43 26.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.831 174.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HD2' ' OE1' ' A' ' 61' ' ' GLN . 73.0 mtt180 -91.46 -43.29 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.278 0.561 . . . . 0.0 110.013 -177.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.681 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 65.5 m -116.15 84.05 13.39 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.205 175.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.99 -33.72 50.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.662 2.241 . . . . 0.0 111.611 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -64.38 -46.54 82.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.517 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 32.9 m -61.18 -38.85 87.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.188 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -62.3 -51.99 65.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.133 176.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 73' ' ' CYS . 84.3 t80 -59.72 -49.91 75.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.053 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -63.43 -31.33 72.46 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.897 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.537 ' O ' ' HB ' ' A' ' 75' ' ' THR . 39.2 ttmt -74.3 -27.97 60.96 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.577 175.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 83.3 m -57.94 -43.61 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.501 ' HA ' ' O ' ' A' ' 78' ' ' MET . 6.9 mp -66.84 -36.53 82.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.439 . . . . 0.0 110.272 174.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 28.3 m -55.42 -48.32 74.58 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.758 176.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.74 -17.98 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.71 -1.54 3.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 119.972 -1.109 . . . . 0.0 114.161 173.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 86.2 mtp -75.31 120.86 21.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.547 0.674 . . . . 0.0 110.389 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -109.54 158.0 18.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.117 0.484 . . . . 0.0 111.896 -175.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 74' ' ' LEU . 2.3 mm? -76.34 -21.1 56.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.324 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -70.62 -21.94 62.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.881 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.95 0.46 44.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.233 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.718 HG21 HG21 ' A' ' 41' ' ' VAL . 6.1 p -129.67 139.17 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.042 0.449 . . . . 0.0 110.284 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -122.79 135.32 54.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.572 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.786 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . . . -85.6 -22.73 27.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.301 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 61.5 m-20 -66.04 -88.04 0.01 OUTLIER 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.903 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 1.6 tpp180 175.86 99.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.984 174.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.58 ' O ' " H5'" ' B' ' 8' ' ' ' DG' . 13.3 tmm? -150.34 107.87 3.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.635 ' HD2' ' H21' ' B' ' 7' ' ' ' DG' . 73.0 mtm180 -108.78 26.47 10.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.765 -174.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.559 ' HA2' " H1'" ' C' ' 26' ' ' ' DG' . . . -72.64 -23.85 77.19 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.467 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.651 ' HA2' " O4'" ' B' ' 7' ' ' ' DG' . . . 78.04 -73.71 2.11 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.559 175.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.626 ' HD2' " H1'" ' B' ' 5' ' ' ' DC' . 78.4 mtp180 -67.22 108.87 2.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.338 0.589 . . . . 0.0 111.061 -175.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -137.19 -141.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.485 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -48.53 -44.23 36.13 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -175.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.479 ' O ' ' HG2' ' A' ' 98' ' ' MET . 67.4 m-85 -91.8 5.49 49.68 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.607 -174.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.95 -51.78 38.42 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.222 -0.513 . . . . 0.0 113.23 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.52 -43.4 55.08 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.979 2.453 . . . . 0.0 113.643 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 25.1 ptm -71.86 -31.44 66.48 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.972 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.766 ' HD2' H5'' ' B' ' 6' ' ' ' DA' . 24.9 m-85 -64.32 -53.3 50.96 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.808 0.337 . . . . 0.0 110.257 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -67.11 -32.46 73.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.46 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 15.0 ttm180 -67.73 -53.82 24.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.325 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.05 -35.38 76.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.842 0.353 . . . . 0.0 110.188 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -64.87 -46.26 82.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.631 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.71 88.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.019 0.438 . . . . 0.0 110.714 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 68.8 mt -67.45 -40.52 85.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.375 177.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -64.54 -41.79 96.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.394 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -84.02 11.63 7.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.699 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -63.32 -32.32 73.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.071 0.463 . . . . 0.0 109.98 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -84.16 146.92 27.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.021 175.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -70.04 118.73 13.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.467 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.448 -0.786 . . . . 0.0 109.897 179.819 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O5'-C5'-C4' 111.36 0.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.665 H2'' ' C5 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 109.136 1.67 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.665 ' C5 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-C2' 107.399 1.181 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.524 ' H71' " H2'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C4'-C3'-C2' 104.641 1.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.626 " H1'" ' HD2' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-N19 108.517 0.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.766 H5'' ' HD2' ' A' ' 99' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C4'-C3'-C2' 104.26 1.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.699 ' OP2' H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 P-O3'-C3' 121.565 1.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.87 H2'' ' OP2' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-N19 108.768 1.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.896 " H1'" " H5'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 P-O3'-C3' 121.663 1.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.896 " H5'" " H1'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-C2' 104.596 -1.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.56 ' OP2' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 O4'-C1'-C2' 107.511 1.283 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.55 ' H8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 P-O3'-C3' 120.358 0.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.5 H2'' ' OP2' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-N19 108.892 1.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.723 H2'' ' C8 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 102.33 -0.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.723 ' C8 ' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 P-O3'-C3' 120.592 0.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.634 H2'' ' C6 ' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 O5'-C5'-C4' 111.573 0.981 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.634 ' C6 ' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.65 1.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.825 " C1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C3'-C2'-C1' 105.026 1.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.854 H5'' ' HE2' ' A' ' 63' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C4'-C3'-C2' 104.379 1.179 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.722 " H3'" ' OG ' ' A' ' 32' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C1'-N19 109.051 1.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.594 " H1'" " H5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 P-O3'-C3' 120.611 0.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.821 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-C2' 107.375 1.159 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.821 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C4'-C3' 106.295 0.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.443 ' H6 ' " O5'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 107.523 1.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.553 " H4'" ' NH2' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C4'-C3'-C2' 104.835 1.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.593 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-N19 108.792 1.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.593 ' C8 ' H2'' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-C2' 104.187 0.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.911 H2'' ' C6 ' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C3'-C2'-C1' 101.716 -0.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 0.911 ' C6 ' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C1'-N19 108.626 1.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.407 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 106.752 0.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.318 0.58 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.57 133.48 48.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.964 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -131.19 154.51 48.32 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.323 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.43 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 35.5 t -68.21 115.93 34.11 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.712 175.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.6 -6.02 15.63 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.7 2.267 . . . . 0.0 112.533 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.489 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 84.6 t -80.07 -66.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.635 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 p -110.11 -22.39 11.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -170.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.74 11.94 42.23 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.889 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -77.67 167.08 22.16 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.757 0.278 . . . . 0.0 110.444 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -70.9 140.89 51.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.088 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 28' ' ' LEU . 27.0 m -68.68 147.19 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.323 0.582 . . . . 0.0 111.776 -177.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -113.3 15.65 19.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.458 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.11 -174.85 21.71 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.353 -0.839 . . . . 0.0 112.243 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -80.37 121.31 25.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -142.27 -64.89 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.982 0.42 . . . . 0.0 110.915 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.645 ' CE1' ' HG3' ' A' ' 34' ' ' LYS . 38.3 m-85 -100.29 71.61 1.58 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.134 0.492 . . . . 0.0 110.85 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.441 ' HA2' ' HE1' ' A' ' 98' ' ' MET . . . 86.4 -26.43 6.36 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.534 -0.757 . . . . 0.0 113.525 174.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD21 HG23 ' A' ' 76' ' ' VAL . 1.9 pt? -164.99 -161.69 0.57 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.976 0.388 . . . . 0.0 110.508 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' HB3' ' CG1' ' A' ' 20' ' ' VAL . 3.2 mm? -59.71 107.41 0.6 Allowed 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.73 174.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.583 HG21 ' HB2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -132.17 150.96 52.03 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.181 -175.148 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.6 p -104.58 155.18 19.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.85 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.596 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 16.7 tp10 -63.59 -22.39 66.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.202 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.1 p -68.89 -45.02 72.02 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.161 -0.337 . . . . 0.0 110.749 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.0 m -74.57 -35.5 63.05 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.195 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.645 ' HG3' ' CE1' ' A' ' 25' ' ' TYR . 60.4 tttt -57.3 -49.27 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.079 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.537 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -60.88 -48.57 85.61 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.161 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.16 -42.24 90.29 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 111.035 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.417 ' O ' HG23 ' A' ' 41' ' ' VAL . 13.0 t80 -62.15 -48.31 80.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.702 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.77 ' HG2' " H2'" ' B' ' 8' ' ' ' DG' . 17.9 mtpt -54.5 -48.9 71.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.963 175.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 18.7 mmm180 -56.16 -47.53 78.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.294 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.7 m -73.81 -55.51 6.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.944 -174.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 37' ' ' PHE . 21.9 t -68.04 -42.81 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -171.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.969 HE21 " H3'" ' B' ' 8' ' ' ' DG' . 13.1 mm-40 -67.59 -35.73 79.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.977 0.418 . . . . 0.0 111.718 -175.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -88.65 11.13 18.29 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.098 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 p30 45.26 43.03 7.75 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 124.27 0.981 . . . . 0.0 110.182 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -87.61 158.61 18.83 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.192 -1.367 . . . . 0.0 111.771 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -145.14 118.04 8.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.308 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -90.56 173.15 8.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.965 0.412 . . . . 0.0 111.155 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.8 m -132.12 122.21 25.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.396 -178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.0 t -97.25 114.95 26.75 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 p -76.62 -8.85 58.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -88.4 -150.84 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.076 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.3 p -83.55 5.02 25.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.88 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 71.51 -48.27 0.67 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.549 0.74 . . . . 0.0 111.978 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -81.59 61.53 5.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.341 0.591 . . . . 0.0 110.138 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.7 m -89.69 167.29 13.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.977 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -89.61 127.42 35.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.045 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.1 mm -87.26 90.97 3.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.477 0.656 . . . . 0.0 109.775 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.528 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 15.5 t70 -102.2 178.95 4.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.352 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -58.78 -39.29 80.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.0 0.429 . . . . 0.0 110.644 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -89.65 -43.59 10.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.899 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.528 ' HG3' ' HB3' ' A' ' 58' ' ' ASP . 33.9 mt-30 -69.88 -15.97 63.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.241 -170.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -69.97 -10.18 57.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.66 ' HG2' " C5'" ' C' ' 19' ' ' ' DT' . 14.2 mtpt -95.25 -41.17 9.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 111.247 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -70.41 -31.55 68.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.299 -174.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.669 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 91.6 m -118.06 83.55 19.67 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.421 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.98 -38.0 13.92 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.25 1.967 . . . . 0.0 111.594 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -61.05 -39.4 89.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.242 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.669 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 49.3 m -70.33 -35.88 73.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.469 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 1.133 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 57.3 ttt180 -65.01 -38.85 92.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 176.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -58.62 -49.46 77.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.962 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -58.89 -42.42 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.523 177.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.489 ' HG3' ' HA ' ' A' ' 15' ' ' VAL . 19.7 tptm -59.25 -38.68 80.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.92 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.02 -56.15 24.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.283 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 78' ' ' MET . 8.8 mp -61.22 -24.37 66.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.55 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.8 m -66.3 -51.83 53.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.816 0.341 . . . . 0.0 111.352 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 HD21 ' A' ' 27' ' ' LEU . 26.0 m -72.14 -22.8 21.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.834 -172.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.42 0.46 2.37 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.125 -1.035 . . . . 0.0 113.23 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.511 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 74.8 mtp -74.59 111.53 9.88 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -96.88 163.03 13.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.8 mt -75.95 -36.6 59.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.93 -174.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -68.86 -7.1 31.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.716 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HA ' ' CE1' ' A' ' 95' ' ' PHE . . . -71.35 -19.24 62.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.112 0.482 . . . . 0.0 110.43 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -96.64 146.18 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.755 ' HB2' H5'' ' B' ' 8' ' ' ' DG' . 4.3 mmp_? -92.32 99.86 12.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.158 -0.339 . . . . 0.0 110.794 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.81 -11.67 29.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.23 0.538 . . . . 0.0 110.805 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.74 -9.28 56.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.854 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.757 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 0.3 OUTLIER 68.3 16.89 9.3 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.765 0.793 . . . . 0.0 109.0 -175.623 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.9 tpt -94.08 118.23 31.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.881 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.792 ' HD3' ' H21' ' B' ' 7' ' ' ' DG' . 98.0 mtt180 -67.63 -19.04 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.394 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.649 ' HA3' " H5'" ' C' ' 27' ' ' ' DA' . . . -79.32 61.2 4.21 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.195 177.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.512 ' H ' " H4'" ' B' ' 7' ' ' ' DG' . . . -94.63 32.32 6.13 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.217 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.807 ' O ' H5'' ' C' ' 28' ' ' ' DG' . 24.2 ttt85 -96.51 98.18 10.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.74 -0.23 . . . . 0.0 111.083 -176.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 92' ' ' ARG . 67.3 t30 176.94 -60.3 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.749 0.309 . . . . 0.0 111.552 174.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -52.3 -49.7 63.65 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.445 ' O ' ' HG3' ' A' ' 98' ' ' MET . 34.9 m-85 -95.37 11.55 32.32 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -173.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.92 -64.88 3.89 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.016 -0.611 . . . . 0.0 113.393 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.84 -39.28 83.0 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.929 2.42 . . . . 0.0 113.265 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.445 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 3.9 ppp? -64.33 -27.87 69.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.478 -176.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -51.94 -55.38 20.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.82 0.819 . . . . 0.0 110.497 173.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -67.4 -34.33 77.03 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.566 -178.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.647 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 35.5 ttm180 -63.16 -50.15 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.156 177.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.57 -42.57 92.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.816 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -58.32 -44.09 88.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.378 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.24 -35.75 76.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.049 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 98.9 mt -63.4 -45.82 89.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.764 178.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -66.32 -37.67 85.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.093 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -62.31 -38.35 89.06 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.144 0.497 . . . . 0.0 110.452 174.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -64.56 -29.62 70.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.658 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -96.07 -65.47 0.97 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.04 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -116.05 105.69 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.153 0.501 . . . . 0.0 111.315 -173.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.687 -0.673 . . . . 0.0 109.533 177.186 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.835 H2'' ' C8 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.549 0 O5'-C5'-C4' 111.618 1.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.835 ' C8 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 104.444 1.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.721 ' C6 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C4'-C3'-C2' 104.584 1.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.629 ' H72' " H2'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C4'-C3'-C2' 104.222 1.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.641 " H1'" ' NH1' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C4'-C3'-C2' 102.687 -0.513 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.449 " H1'" " H5'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-N19 108.849 1.311 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.913 H2'' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C4'-C3'-C2' 104.679 1.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.969 " H3'" HE21 ' A' ' 42' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C4'-C3'-C2' 104.43 1.23 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.757 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 P-O3'-C3' 120.688 0.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C4'-C3' 106.35 0.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.662 H2'' ' C8 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C4'-C3'-C2' 105.127 1.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.662 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C1'-O4'-C4' 110.664 0.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.9 " H1'" " H5'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.157 0.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.9 " H5'" " H1'" ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 O4'-C1'-C2' 107.178 0.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.495 ' OP2' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 P-O3'-C3' 121.084 1.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.664 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.601 0 C4'-C3'-C2' 102.021 -1.179 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.664 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 P-O3'-C3' 120.98 1.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.667 H2'' ' OP2' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 O4'-C1'-C2' 106.858 0.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 1.133 " H3'" HH12 ' A' ' 69' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 109.082 1.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.606 H2'' ' OP2' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C1'-O4'-C4' 110.378 0.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.606 ' OP2' H2'' ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 P-O3'-C3' 121.13 1.191 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.967 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 104.495 1.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.967 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 P-O3'-C3' 120.989 1.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.912 " H1'" " H5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-N19 108.514 0.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.912 " H5'" " H1'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 P-O3'-C3' 121.068 1.14 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.727 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C4'-C3'-C2' 104.519 1.319 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.911 " H1'" " H5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 C1'-O4'-C4' 110.5 0.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.911 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-C2' 107.49 1.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 0.958 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-N19 108.852 1.316 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.958 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-C2' 107.532 1.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.527 0.68 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -102.53 150.64 23.19 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.16 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 12' ' ' LEU . 7.2 mp -100.01 141.17 33.19 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.988 0.423 . . . . 0.0 110.843 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.36 122.85 52.28 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.18 -10.91 30.27 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.21 2.606 . . . . 0.0 112.671 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.405 HG11 ' SG ' ' A' ' 73' ' ' CYS . 60.9 t -80.3 -33.36 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.254 177.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 p -139.16 -85.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.553 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.87 46.0 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.968 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -116.6 150.84 37.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -55.85 126.81 27.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.146 0.498 . . . . 0.0 109.916 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.653 HG11 ' HB3' ' A' ' 28' ' ' LEU . 35.3 m -64.35 147.98 12.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.281 -173.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.6 m -98.09 20.51 12.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.437 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.87 178.54 15.99 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.494 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -92.64 107.78 19.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.028 0.442 . . . . 0.0 110.182 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 5.8 p80 -154.56 149.62 26.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.476 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.456 ' CE1' ' HG3' ' A' ' 34' ' ' LYS . 63.9 m-85 70.11 15.28 7.66 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.795 0.684 . . . . 0.0 110.174 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.68 17.67 63.31 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.5 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.8 mt -155.18 162.05 41.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.239 0.542 . . . . 0.0 112.114 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.653 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.3 mm? -80.37 102.29 9.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 168.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.2 p -129.08 148.81 51.06 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 120.948 0.404 . . . . 0.0 111.129 -173.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.6 p -87.78 161.5 17.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.559 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -58.71 -32.32 69.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.856 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 m -57.03 -48.48 78.42 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.5 m -72.11 -38.73 69.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 25' ' ' TYR . 27.7 ttpt -59.6 -43.44 93.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 0.0 110.284 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.33 -50.82 62.78 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.418 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -65.42 -40.28 93.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.574 0.226 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 41' ' ' VAL . 22.2 t80 -58.38 -46.49 86.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.88 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.595 ' HD2' " H2'" ' B' ' 8' ' ' ' DG' . 55.4 mtmt -56.24 -58.15 9.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.564 176.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.542 ' NH1' ' H71' ' C' ' 19' ' ' ' DT' . 45.5 mtt180 -56.86 -29.9 63.33 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 m -82.17 -55.99 4.2 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.488 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 37' ' ' PHE . 35.9 t -68.54 -37.6 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.485 -173.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.73 ' HG2' ' HA ' ' A' ' 85' ' ' ALA . 98.1 mt-30 -62.11 -21.63 65.15 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.665 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 50.3 m-80 -113.06 1.81 15.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.919 0.39 . . . . 0.0 110.145 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 60.05 35.25 21.38 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.89 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.665 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 87.2 mttt -73.67 120.84 19.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.276 -173.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -109.49 97.36 6.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.416 172.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.602 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 60.9 m-85 -72.62 174.28 7.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.473 -178.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.3 m -135.62 129.78 33.38 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.529 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.877 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 48.5 t -97.99 165.13 12.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.7 p -70.17 -64.31 0.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 0.0 112.235 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -86.33 -138.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.494 -174.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.3 m -66.59 0.05 2.52 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.91 0.484 . . . . 0.0 111.603 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.877 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 40.1 mt-30 68.7 8.57 6.82 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.012 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -108.52 78.59 1.17 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 40.1 m -103.5 174.01 6.05 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.751 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 56' ' ' LYS . 33.9 mtmm -84.08 142.01 30.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.793 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.5 mm -106.37 98.02 6.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.136 0.493 . . . . 0.0 110.539 -177.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -128.06 178.96 5.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.848 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 26.7 ttpp -53.71 -34.76 59.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.556 0.535 . . . . 0.0 112.425 -174.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 p -89.03 -50.1 6.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.108 0.411 . . . . 0.0 112.108 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.553 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 22.6 mt-30 -72.77 -16.2 61.64 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -171.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.553 ' O ' ' HD2' ' A' ' 69' ' ' ARG . 37.9 ptt180 -71.42 -5.47 33.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 111.075 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.526 ' NZ ' " H4'" ' B' ' 15' ' ' ' DG' . 93.6 mttt -95.44 -45.8 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.098 0.475 . . . . 0.0 110.344 176.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.553 ' HG2' ' HA ' ' A' ' 61' ' ' GLN . 9.1 ptm180 -75.63 -27.37 58.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.418 -176.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.5 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 93.1 m -114.86 81.12 7.13 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.296 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.49 -33.44 22.71 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.225 1.95 . . . . 0.0 111.443 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.602 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 80.2 t80 -64.19 -51.27 64.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.335 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 32.6 m -60.61 -40.89 93.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.236 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.656 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 59.2 ttt180 -60.77 -46.87 88.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.791 178.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.24 -50.79 71.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.572 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 67' ' ' PHE . 86.0 mm-40 -59.57 -39.57 84.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -54.87 -46.42 74.74 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.296 0.238 . . . . 0.0 110.99 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.405 ' SG ' HG11 ' A' ' 15' ' ' VAL . 63.2 m -55.22 -50.09 70.31 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.57 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.499 HD21 HD21 ' A' ' 80' ' ' LEU . 8.4 mp -67.78 -32.42 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.379 . . . . 0.0 112.008 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.3 m -63.31 -44.09 95.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 0.0 111.303 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.2 m -74.94 -22.83 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.065 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.43 33.04 1.15 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.367 -0.92 . . . . 0.0 114.142 171.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.4 mtp -78.25 118.06 20.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.444 0.622 . . . . 0.0 109.617 174.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -73.37 120.01 18.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.252 -174.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.499 HD21 HD21 ' A' ' 74' ' ' LEU . 68.3 mt -59.65 -38.95 82.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.813 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.484 ' HG3' ' HZ ' ' A' ' 95' ' ' PHE . 10.3 pt-20 -76.33 6.87 4.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.927 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.05 2.72 46.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.048 0.451 . . . . 0.0 110.513 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.431 HG11 ' CG1' ' A' ' 41' ' ' VAL . 3.5 p -99.11 147.59 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.548 178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.761 ' HB3' H5'' ' B' ' 8' ' ' ' DG' . 5.2 tpt180 -113.68 111.25 21.5 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.721 -0.391 . . . . 0.0 109.972 176.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.73 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . . . -85.73 -18.71 32.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.345 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 5.1 m-20 -57.27 -78.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.055 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 1.012 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 15.8 tpp85 169.49 -31.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.672 -176.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 92.6 mmm -52.88 126.12 19.24 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.382 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.66 ' HD3' ' N2 ' ' B' ' 7' ' ' ' DG' . 96.0 mtt180 -96.64 3.79 52.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.899 -177.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -127.85 127.69 5.84 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.276 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.45 45.72 0.19 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.21 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.646 ' HE ' " H4'" ' C' ' 28' ' ' ' DG' . 59.8 ttp180 -88.74 86.73 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.999 0.428 . . . . 0.0 110.526 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.581 ' HB3' ' OP1' ' C' ' 28' ' ' ' DG' . 5.2 p30 -157.89 -52.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.691 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -56.51 -46.59 80.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.987 0.423 . . . . 0.0 111.733 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.484 ' HZ ' ' HG3' ' A' ' 81' ' ' GLU . 94.0 m-85 -91.66 8.48 36.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.666 -178.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.536 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -53.61 -53.87 33.41 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-O 119.525 -0.597 . . . . 0.0 113.633 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 10.0 Cg_endo -52.42 -46.73 31.11 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.068 2.512 . . . . 0.0 113.203 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.455 ' SD ' ' HD2' ' A' ' 95' ' ' PHE . 26.9 ptm -71.6 -35.2 70.42 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.547 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.428 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 7.8 m-85 -63.32 -54.38 38.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.026 0.441 . . . . 0.0 110.644 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -58.58 -52.23 66.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.763 -177.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 32.3 ttm180 -62.14 -51.07 69.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.532 -176.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.05 -45.89 91.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.618 0.247 . . . . 0.0 111.123 -175.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 99' ' ' TYR . 60.6 mtm180 -62.59 -40.64 97.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.958 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.463 ' HA ' ' HG2' ' A' ' 107' ' ' GLN . . . -63.65 -34.98 79.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.012 0.434 . . . . 0.0 110.902 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 71.5 mt -72.02 -37.95 69.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.524 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.713 ' HE3' ' HA ' ' A' ' 111' ' ' ALA . 82.0 tttt -73.22 -40.62 64.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.296 -178.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 4.1 pt20 -73.9 2.3 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 111.109 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -61.35 -33.53 73.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 171.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -125.06 -77.48 0.59 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.334 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -171.86 -51.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.713 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.249 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.623 H2'' ' H8 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 O5'-C5'-C4' 111.701 1.072 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.623 ' H8 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 105.006 -0.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.501 ' C5 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 O4'-C4'-C3' 106.073 0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.663 H2'' ' OP2' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C4'-C3' 106.133 0.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' DC' . . . . . 0.663 ' OP2' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 P-O3'-C3' 121.197 1.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.598 ' C8 ' " H1'" ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-N19 108.596 0.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.735 H2'' ' OP2' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-N19 109.055 1.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.761 H5'' ' HB3' ' A' ' 84' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 P-O3'-C3' 121.124 1.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 1.012 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 P-O3'-C3' 121.729 1.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.533 H2'' ' OP2' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-N19 108.59 0.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.533 ' OP2' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 104.98 1.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.473 ' C8 ' " C2'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 104.673 -1.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.459 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 P-O3'-C3' 120.73 0.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ' DA' . . . . . 0.678 " H1'" " H5'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C1'-O4'-C4' 110.352 0.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ' DG' . . . . . 0.678 " H5'" " H1'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 105.065 1.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.616 H2'' ' H71' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.633 0 O5'-C5'-C4' 111.666 1.047 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.616 ' H71' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 107.623 1.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.594 " H2'" ' H72' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C4'-C3'-C2' 104.536 1.336 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.656 " H3'" HH12 ' A' ' 69' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C1'-O4'-C4' 110.582 0.63 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . 0.931 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-C2' 104.283 -1.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.931 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 P-O3'-C3' 121.151 1.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.87 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C1'-O4'-C4' 110.689 0.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.87 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.463 1.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.573 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 P-O3'-C3' 121.234 1.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.693 H2'' ' H8 ' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C4'-C3'-C2' 103.912 0.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' ' DG' . . . . . 0.72 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C4'-C3'-C2' 104.653 1.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 1.047 " H1'" " H5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-N19 108.575 0.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 1.047 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-C2' 107.424 1.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' ' DC' . . . . . 0.695 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 104.648 -1.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.695 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.261 1.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.654 0.264 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -106.02 148.21 27.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.257 0.551 . . . . 0.0 110.72 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.8 mt -111.74 153.07 27.04 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.116 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.479 ' HB2' ' H ' ' A' ' 17' ' ' GLY . 38.2 m -66.03 137.25 95.79 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.344 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -67.27 -13.19 38.63 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.535 2.157 . . . . 0.0 112.439 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.619 ' HB ' ' HG3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -104.03 -81.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.627 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.568 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.6 p -69.65 -31.82 70.12 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.479 ' H ' ' HB2' ' A' ' 13' ' ' CYS . . . 93.45 14.44 53.53 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.314 177.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.497 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 67.5 m-20 -83.76 164.55 19.51 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 117.205 0.502 . . . . 0.0 111.106 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 13.1 mptt -65.22 127.9 33.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.979 176.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.424 HG11 ' HB3' ' A' ' 28' ' ' LEU . 21.3 m -76.35 136.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.249 0.547 . . . . 0.0 111.883 -174.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 p -90.61 -12.45 36.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.044 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.13 -165.04 28.61 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.438 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.609 ' HB3' ' HD1' ' A' ' 99' ' ' TYR . 20.1 m-85 -72.38 112.6 8.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.007 0.432 . . . . 0.0 111.188 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.656 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 49.6 m-70 -134.25 125.99 28.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.53 ' HD1' ' HB3' ' A' ' 82' ' ' ALA . 83.6 m-85 64.33 21.36 12.48 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.599 0.562 . . . . 0.0 111.928 173.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.43 0.22 53.52 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.165 -0.541 . . . . 0.0 113.119 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -139.25 158.7 43.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -176.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.4 mm? -70.61 106.24 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 167.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.656 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 19.0 p -139.1 164.92 28.51 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.704 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.626 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 26.7 p -95.52 177.19 5.9 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.583 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -70.01 -20.78 63.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.541 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.626 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 22.7 t -66.08 -45.54 80.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.2 m -63.78 -52.67 59.22 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -54.11 -51.91 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.764 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.89 -48.8 67.57 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.909 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -66.74 -37.89 85.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.593 0.235 . . . . 0.0 110.892 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 41' ' ' VAL . 6.2 t80 -60.88 -47.13 87.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -61.38 -48.88 79.24 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.9 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -55.91 -33.7 64.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.339 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.8 m -78.79 -57.97 3.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.232 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.66 ' HB ' HG11 ' A' ' 83' ' ' VAL . 21.9 t -70.58 -44.12 77.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -65.68 -43.31 89.62 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 111.471 -175.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -82.2 6.87 15.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.088 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 58.02 41.43 24.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.453 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -78.43 142.8 37.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.523 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -143.52 128.04 18.0 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.555 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -123.57 176.05 6.43 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.357 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -153.05 134.37 14.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.003 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.6 t -92.86 136.78 32.94 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.4 m -60.54 -52.11 66.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 0.0 110.854 -176.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -131.89 156.92 45.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 p 46.81 86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.992 0.808 . . . . 0.0 111.798 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.63 -21.74 63.05 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.645 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.4 m -118.94 81.8 1.76 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.831 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.9 179.42 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.036 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 56' ' ' LYS . 5.0 mmmp? -75.91 105.39 6.93 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.0 mm -77.86 95.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.366 0.603 . . . . 0.0 109.728 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.94 -175.89 2.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.535 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -34.23 77.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.731 0.301 . . . . 0.0 111.401 -175.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.9 p -88.82 -48.03 7.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.123 0.487 . . . . 0.0 111.511 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.549 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 90.4 mt-30 -73.89 -7.62 53.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -172.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.472 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 38.6 ptt180 -75.9 -11.7 60.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.947 0.404 . . . . 0.0 110.322 176.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -92.83 -31.57 14.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.53 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.549 ' HG2' ' HA ' ' A' ' 61' ' ' GLN . 12.7 ptm180 -79.06 -34.04 44.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.701 0.286 . . . . 0.0 111.708 -175.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.572 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 92.0 m -116.49 92.9 38.55 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 120.723 0.297 . . . . 0.0 111.634 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -66.63 -39.02 16.8 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.636 2.224 . . . . 0.0 111.445 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.8 -47.04 86.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.677 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 37.6 m -64.1 -35.5 80.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.482 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -68.0 -41.88 81.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.213 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -60.83 -50.76 72.12 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.26 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -57.96 -39.82 79.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.614 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.619 ' HG3' ' HB ' ' A' ' 15' ' ' VAL . 32.4 tptt -58.8 -44.56 90.78 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.465 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 69.0 m -59.09 -54.43 47.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.63 -40.09 93.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.335 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.8 m -63.79 -46.02 87.07 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 72' ' ' LYS . 27.2 m -69.78 -18.76 22.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.537 -176.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.86 15.88 3.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.419 -0.896 . . . . 0.0 114.067 172.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 86.7 mtp -75.04 124.4 26.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.419 0.609 . . . . 0.0 110.202 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.621 ' HA ' ' NE ' ' A' ' 79' ' ' ARG . 2.4 mmp_? -72.09 121.5 19.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.904 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.1 -29.23 60.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.927 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.73 -14.12 62.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.222 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.715 ' HB2' ' HZ ' ' A' ' 95' ' ' PHE . . . -79.77 -9.21 59.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.66 HG11 ' HB ' ' A' ' 41' ' ' VAL . 44.9 t -82.36 97.22 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.199 0.523 . . . . 0.0 110.389 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 88' ' ' MET . 21.4 tpt180 -79.05 78.01 5.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.264 175.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.04 -15.11 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.919 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.537 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 5.7 t70 -55.28 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.173 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.537 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 3.8 tpt180 165.82 -34.53 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.66 0.6 . . . . 0.0 110.057 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.569 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 11.2 tpt -52.72 114.84 1.53 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.279 -177.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -67.35 -15.83 63.91 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.955 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -80.39 70.36 2.99 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.35 175.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.45 23.77 5.33 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.372 -0.442 . . . . 0.0 113.285 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -83.22 106.13 14.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.424 0.631 . . . . 0.0 110.348 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.514 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 46.2 m-80 -95.56 -166.38 1.44 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.552 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -15.18 19.8 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -175.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.715 ' HZ ' ' HB2' ' A' ' 82' ' ' ALA . 38.9 p90 -96.71 10.77 37.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.718 0.294 . . . . 0.0 110.697 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.59 -47.58 44.92 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-O 119.541 -0.588 . . . . 0.0 114.065 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.71 -28.21 46.03 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.729 2.286 . . . . 0.0 114.164 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 4.3 ppp? -63.24 -29.48 70.81 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.194 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.609 ' HD1' ' HB3' ' A' ' 23' ' ' TYR . 74.2 m-85 -59.69 -56.75 17.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.322 . . . . 0.0 111.427 -178.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -73.26 -29.87 63.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.737 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -65.29 -54.78 24.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.076 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.94 -40.36 92.98 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.208 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.694 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.962 0.41 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' H ' HG22 ' A' ' 20' ' ' VAL . 32.7 mm-40 -124.6 -177.13 3.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.776 -174.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.2 mt -97.53 145.0 26.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.103 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.447 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 53.7 t -76.39 120.12 80.29 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.784 -178.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.473 ' HG2' HG11 ' A' ' 76' ' ' VAL . 28.8 Cg_endo -64.55 -8.59 17.68 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.9 2.4 . . . . 0.0 112.889 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.636 HG13 ' HB3' ' A' ' 72' ' ' LYS . 82.0 t -82.92 -49.6 16.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.18 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 3.6 p -132.23 -14.69 2.97 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -169.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.92 -1.67 71.22 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.571 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -72.95 160.88 31.41 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.89 123.58 25.33 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 -175.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.571 HG21 HD12 ' A' ' 28' ' ' LEU . 10.6 m -75.54 139.26 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 111.035 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.5 t -93.09 5.68 50.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.163 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.02 178.83 15.47 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.091 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.542 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 88.8 m-85 -58.56 115.11 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.448 0.642 . . . . 0.0 111.827 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.57 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 12.9 m-70 -131.45 123.84 28.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.698 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.78 ' HE1' ' HG3' ' A' ' 34' ' ' LYS . 65.6 m-85 73.03 -71.6 0.13 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.125 0.57 . . . . 0.0 112.024 173.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 77' ' ' GLY . . . -129.67 -24.77 0.98 Allowed Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.123 -177.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.472 HD21 HG23 ' A' ' 76' ' ' VAL . 2.6 pt? -159.18 -176.54 5.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD12 HG21 ' A' ' 20' ' ' VAL . 2.3 pt? -76.95 115.08 16.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.749 0.785 . . . . 0.0 111.053 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.57 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 7.2 p -129.76 168.69 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.319 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 19.6 p -86.33 166.52 15.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.24 -29.69 69.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.093 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.471 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 50.5 m -55.27 -46.08 76.15 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.809 174.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -76.88 -43.01 37.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.898 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.78 ' HG3' ' HE1' ' A' ' 25' ' ' TYR . 33.1 ttpt -51.76 -49.96 61.59 Favored 'General case' 0 C--O 1.245 0.853 0 CA-C-O 121.359 0.6 . . . . 0.0 110.713 176.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -65.53 -52.16 41.76 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -60.42 -40.84 92.46 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.59 0.233 . . . . 0.0 111.129 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -58.16 -50.29 74.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.091 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.602 ' HG2' HG23 ' A' ' 83' ' ' VAL . 26.5 mtmm -59.14 -51.09 71.52 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.435 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 24.6 mmm180 -57.06 -46.93 82.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.299 -174.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.8 m -63.12 -49.95 72.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.654 HG11 ' CG1' ' A' ' 83' ' ' VAL . 44.9 t -63.75 -49.21 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.734 -178.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.64 -34.8 79.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.808 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -83.52 -4.71 58.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -179.523 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.5 m120 59.94 27.95 17.39 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.37 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HG3' ' CB ' ' A' ' 43' ' ' ASN . 90.9 mttt -72.72 114.62 11.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.957 -175.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -106.42 83.88 1.94 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.793 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -68.65 163.21 24.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.308 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 t -130.34 179.31 5.99 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.476 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 42.8 t -159.41 156.88 29.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -101.85 154.22 19.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.725 0.298 . . . . 0.0 111.042 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 59.71 -91.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.474 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.556 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 12.3 m -67.24 -57.68 6.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.712 -172.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.476 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 72.3 mt-30 69.86 -28.23 0.17 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.361 0.665 . . . . 0.0 111.996 -177.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 52' ' ' SER . 21.7 m -105.32 43.19 1.14 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 173.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 52' ' ' SER . 61.6 m -62.51 171.59 1.91 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.529 -177.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -94.23 146.29 24.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.944 -176.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.724 HG13 ' HA ' ' A' ' 69' ' ' ARG . 50.9 mm -115.3 121.92 68.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.992 0.425 . . . . 0.0 110.4 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.539 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 7.4 m-20 -123.01 -172.01 2.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.863 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.7 -28.32 68.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.0 p -87.9 -49.92 6.77 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.928 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.539 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 36.5 mt-30 -79.24 8.07 6.61 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.212 -172.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.49 ' HA ' HG23 ' A' ' 57' ' ' ILE . 37.4 ptt180 -64.3 -33.3 75.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -97.88 -7.1 30.98 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' CD ' ' HA ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -67.44 -63.37 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -173.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.549 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.5 m -115.78 97.25 48.62 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.675 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 18.3 Cg_endo -61.38 -40.14 51.15 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.555 2.17 . . . . 0.0 111.843 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -63.48 -46.52 85.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.482 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.718 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . 50.0 m -66.08 -30.64 71.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.683 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.724 ' HA ' HG13 ' A' ' 57' ' ' ILE . 70.3 ttt180 -67.89 -44.75 76.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.052 175.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -64.57 -48.06 76.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.559 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.718 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -70.13 -20.71 63.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.428 -179.474 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.837 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -71.26 -39.65 71.47 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.127 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.515 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 62.5 m -61.0 -38.5 86.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.672 174.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.92 -35.26 69.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.3 m -57.84 -43.11 85.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.473 HG11 ' HG2' ' A' ' 14' ' ' PRO . 33.6 m -80.05 -13.92 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.503 ' O ' ' HA3' ' A' ' 26' ' ' GLY . . . 105.23 26.41 6.28 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.121 -1.038 . . . . 0.0 114.308 171.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.526 ' SD ' HG21 ' A' ' 29' ' ' THR . 79.7 mtp -72.92 113.72 10.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.503 0.652 . . . . 0.0 109.464 173.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -77.56 146.99 35.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.299 -170.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.73 -16.47 60.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.898 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.74 -0.03 28.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.896 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 25' ' ' TYR . . . -111.74 3.23 17.62 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.481 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.654 ' CG1' HG11 ' A' ' 41' ' ' VAL . 7.7 p -116.36 130.21 71.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.137 0.494 . . . . 0.0 110.333 176.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -138.42 133.41 32.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.247 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.1 2.29 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 166.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 87' ' ' ARG . 24.9 t70 -62.09 -16.07 49.73 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.269 -1.332 . . . . 0.0 112.269 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 86' ' ' ASP . 5.3 tpp180 81.89 -16.08 0.65 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.447 0.699 . . . . 0.0 111.36 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.7 tpp -66.6 115.16 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -81.29 58.57 3.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.077 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.22 -132.65 4.75 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.869 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.13 76.41 0.47 Allowed Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.631 -0.587 . . . . 0.0 111.631 -178.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.589 ' HD2' ' HE2' ' A' ' 99' ' ' TYR . 23.2 ttm180 -148.89 110.83 4.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.975 0.417 . . . . 0.0 111.038 -174.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -104.15 -46.1 4.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.938 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -73.26 -16.87 61.38 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.537 ' O ' ' HG3' ' A' ' 98' ' ' MET . 83.8 m-85 -117.81 0.73 12.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.866 0.365 . . . . 0.0 110.341 174.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.435 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -58.0 -56.47 25.02 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 116.041 -0.527 . . . . 0.0 113.39 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 42.1 Cg_endo -68.38 -29.1 32.1 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.521 2.147 . . . . 0.0 113.58 -177.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.537 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 4.9 ppp? -69.93 -29.89 67.15 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.753 -172.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.589 ' HE2' ' HD2' ' A' ' 92' ' ' ARG . 47.3 m-85 -67.63 -49.69 61.7 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.344 0.593 . . . . 0.0 109.778 173.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -61.86 -42.66 99.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.863 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -58.54 -54.07 51.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.047 -0.978 . . . . 0.0 110.947 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.49 -33.42 74.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.573 -175.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.466 ' HA ' ' HE2' ' A' ' 23' ' ' TYR . 24.9 tpt180 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.284 176.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 122.092 0.948 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.515 ' HG3' ' HG ' ' A' ' 28' ' ' LEU . 5.7 mm-40 -82.09 152.35 26.62 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.506 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.7 mt -108.18 137.08 46.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.802 0.334 . . . . 0.0 110.618 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.442 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 51.3 t -63.97 118.44 45.75 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.29 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.08 -12.53 36.41 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.787 2.325 . . . . 0.0 112.268 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.442 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 84.4 t -76.65 -56.61 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.469 178.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.1 p -111.58 -55.57 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 111.748 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.48 -1.93 4.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.913 -175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.18 153.8 40.55 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -71.76 132.71 44.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.941 0.401 . . . . 0.0 110.522 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.623 HG11 ' HB3' ' A' ' 28' ' ' LEU . 10.0 m -75.98 163.78 3.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.87 -172.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.6 t -112.88 16.24 19.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.541 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.09 -178.3 17.62 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.142 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -75.99 114.67 14.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.72 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 78.5 m-70 -140.13 134.08 30.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.618 0.246 . . . . 0.0 111.385 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.564 ' HD1' ' HB3' ' A' ' 24' ' ' HIS . 72.8 m-85 70.19 6.04 5.59 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 167.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.3 -35.26 1.91 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.575 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -150.41 -168.28 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.502 0.192 . . . . 0.0 110.739 179.343 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.623 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.2 mm? -72.07 115.28 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.72 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 2.9 p -132.42 155.31 48.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.317 0.58 . . . . 0.0 111.434 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.9 p -96.71 154.65 17.16 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.382 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.519 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 61.9 mm-40 -64.62 -22.51 66.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.263 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 p -62.76 -44.1 97.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.043 0.449 . . . . 0.0 110.571 176.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.5 m -78.71 -36.78 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.648 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.519 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 61.1 tttp -58.92 -43.12 91.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.785 0.326 . . . . 0.0 110.424 176.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.0 -49.39 54.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.21 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -56.34 -45.33 80.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.834 0.35 . . . . 0.0 110.946 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.622 ' O ' HG22 ' A' ' 41' ' ' VAL . 30.2 t80 -55.8 -51.47 67.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.037 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -59.0 -45.42 90.7 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.428 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -58.88 -40.56 84.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.94 0.4 . . . . 0.0 110.836 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.4 m -68.25 -52.28 35.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.01 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.631 HG21 HG21 ' A' ' 83' ' ' VAL . 16.0 m -68.65 -48.96 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 11.6 mm-40 -70.14 -35.82 74.32 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -85.24 1.11 49.64 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.611 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' ' 44' ' ' ASN . 0.9 OUTLIER 63.19 28.14 15.81 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.22 0.534 . . . . 0.0 110.111 -179.551 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -78.73 140.79 38.25 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.947 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -141.27 116.78 10.2 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.638 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CD2' ' HB2' ' A' ' 66' ' ' PRO . 97.9 m-85 -91.58 174.75 7.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.523 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -133.81 151.15 51.48 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.857 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -125.08 119.61 29.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.888 0.375 . . . . 0.0 110.109 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 p -88.08 2.17 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.651 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -102.06 -149.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.401 -175.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -75.2 -4.43 38.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.827 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 71.02 -45.8 0.62 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.455 0.702 . . . . 0.0 111.809 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 m -85.77 62.63 7.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.261 0.553 . . . . 0.0 109.58 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.1 m -84.62 165.8 17.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.487 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -82.58 114.56 21.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.462 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.5 mm -93.11 96.54 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.984 0.421 . . . . 0.0 110.45 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -120.93 -163.64 1.04 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.024 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.533 ' HB2' ' NZ ' ' A' ' 59' ' ' LYS . 9.7 mtmp? -61.12 -38.41 86.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.745 0.307 . . . . 0.0 111.556 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.7 p -88.61 -50.31 6.34 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -87.54 12.2 13.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -173.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -65.43 -31.57 72.73 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.536 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -96.83 -17.0 20.49 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.912 175.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 1.7 mmp_? -64.26 -43.2 95.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.923 0.392 . . . . 0.0 110.548 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.659 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 49.4 m -126.42 85.39 60.27 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.459 174.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.496 ' HB2' ' CD2' ' A' ' 47' ' ' TYR . 14.0 Cg_exo -68.52 -31.03 27.99 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.763 2.309 . . . . 0.0 111.974 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 70.3 t80 -68.14 -41.54 81.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.124 0.488 . . . . 0.0 109.689 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.659 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 56.8 m -64.82 -37.53 87.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.32 177.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -70.45 -36.1 73.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.21 -50.37 72.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.129 0.49 . . . . 0.0 110.032 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.8 -28.68 67.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.617 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -59.37 -45.01 92.63 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.068 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.436 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 63.0 m -59.66 -50.22 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.827 176.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.7 HD11 ' HG ' ' A' ' 80' ' ' LEU . 1.7 mm? -57.46 -37.34 72.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.635 177.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.8 m -65.47 -47.82 74.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.779 -177.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.438 HG23 HD11 ' A' ' 27' ' ' LEU . 30.9 m -66.87 -22.46 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.479 -174.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.01 -0.17 3.24 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.36 -0.924 . . . . 0.0 113.671 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 73' ' ' CYS . 82.9 mtp -70.45 132.51 45.68 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 117.107 0.454 . . . . 0.0 110.678 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -97.45 142.64 29.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.095 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.7 ' HG ' HD11 ' A' ' 74' ' ' LEU . 96.6 mt -75.73 -34.48 60.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.752 0.787 . . . . 0.0 109.391 173.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 1.6 pm0 -71.73 6.01 2.2 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.332 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.95 4.08 47.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.078 0.466 . . . . 0.0 110.457 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.631 HG21 HG21 ' A' ' 41' ' ' VAL . 5.7 p -129.62 119.92 49.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.459 0.647 . . . . 0.0 110.128 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -107.09 133.93 50.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.992 -177.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.92 -29.94 44.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.901 -174.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.56 -80.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -179.67 113.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 40.1 tpp -152.93 98.5 2.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -93.52 8.43 40.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.434 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.72 112.4 4.45 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 174.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.75 -19.59 71.47 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.369 -0.443 . . . . 0.0 113.98 -174.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -106.21 94.83 5.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.304 -0.527 . . . . 0.0 110.941 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -110.77 -138.59 0.38 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.58 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -57.51 -28.98 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.265 0.555 . . . . 0.0 110.452 174.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 73.3 m-85 -81.2 3.24 24.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.065 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.457 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -58.27 -58.25 15.58 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-O 119.747 -0.474 . . . . 0.0 113.368 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 10.4 Cg_endo -54.34 -45.5 40.52 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.844 2.363 . . . . 0.0 112.915 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.9 ptm -70.75 -30.45 66.96 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.734 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 15.3 t80 -63.75 -46.76 83.87 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.451 0.643 . . . . 0.0 109.83 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -59.96 -47.2 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.243 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -66.35 -44.89 82.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.263 -177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -46.25 82.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.111 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.347 178.358 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 CA--C 1.515 -0.373 0 CA-C-O 121.433 0.635 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.605 ' HG3' HD22 ' A' ' 28' ' ' LEU . 7.3 mm-40 -116.56 156.02 27.68 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.909 -176.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 7.0 mp -109.5 143.78 38.68 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.149 0.499 . . . . 0.0 110.809 172.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 20' ' ' VAL . 21.8 m -60.89 129.45 90.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.984 -176.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HG2' HG21 ' A' ' 76' ' ' VAL . 58.8 Cg_endo -70.81 -0.67 8.13 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.922 2.415 . . . . 0.0 112.242 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 72' ' ' LYS . 47.6 t -100.77 -69.88 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.703 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.509 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 20.8 p -82.21 -12.8 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.779 -174.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.71 40.64 93.96 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.12 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.505 ' HB2' ' NH1' ' A' ' 62' ' ' ARG . 2.7 t70 -137.89 166.92 22.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 26.1 mtmm -57.06 145.58 30.28 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.826 0.451 . . . . 0.0 111.417 -173.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 13' ' ' CYS . 20.3 m -90.43 164.11 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 111.405 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.8 t -100.99 -1.37 34.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.01 99.96 2.39 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.066 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' OH ' ' HD3' ' A' ' 103' ' ' ARG . 87.8 m-85 57.06 -151.61 0.41 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 122.376 0.27 . . . . 0.0 111.194 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.605 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 4.9 m-70 127.06 -29.48 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.639 1.976 . . . . 0.0 108.868 171.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.421 ' C ' ' H ' ' A' ' 27' ' ' LEU . 95.9 m-85 -138.62 -151.69 0.39 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.78 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 31.48 1.2 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.993 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.427 HD21 HG23 ' A' ' 76' ' ' VAL . 1.7 pp 176.55 -178.35 0.15 Allowed 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.605 HD22 ' HG3' ' A' ' 11' ' ' GLU . 6.6 mp -86.17 119.75 26.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.054 0.454 . . . . 0.0 110.808 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.605 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 30.9 p -128.11 172.61 10.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.156 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 25.5 p -111.13 -179.26 3.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 176.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -65.94 -27.38 68.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.707 0.289 . . . . 0.0 110.456 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.436 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 18.8 t -68.12 -39.48 82.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.299 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 74.3 m -67.69 -52.42 38.01 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.423 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -61.15 -37.86 84.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.829 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -62.62 -56.83 19.15 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.406 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -63.95 -38.62 91.76 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.655 0.264 . . . . 0.0 111.362 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.58 ' O ' HG22 ' A' ' 41' ' ' VAL . 15.0 t80 -58.53 -52.74 64.39 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HA ' ' CG2' ' A' ' 41' ' ' VAL . 23.9 mtpp -62.66 -39.65 94.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.313 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.577 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 33.9 mmt180 -49.94 -50.39 46.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.769 0.318 . . . . 0.0 110.835 176.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 m -65.66 -57.99 6.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.722 HG21 HG21 ' A' ' 83' ' ' VAL . 16.2 m -65.01 -45.36 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.411 HE22 ' HA ' ' A' ' 85' ' ' ALA . 14.1 mm100 -79.05 -35.93 41.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.017 0.437 . . . . 0.0 111.933 -172.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.577 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -81.88 -4.69 57.14 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 61.62 40.42 13.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.964 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -92.73 158.04 16.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.791 -174.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -129.59 95.82 4.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.611 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -82.77 160.64 22.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.411 -176.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -143.44 -175.74 4.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.219 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.584 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 53.7 t -135.24 146.89 49.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.7 p -90.09 -18.37 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.494 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -91.51 -93.08 0.14 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.165 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 12.7 p -122.81 -2.6 8.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.898 -173.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.584 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 28.2 mt-30 72.32 -38.42 0.42 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.225 0.61 . . . . 0.0 111.738 -176.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.2 m -101.85 72.45 1.35 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.351 0.596 . . . . 0.0 109.404 173.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 56.8 m -100.21 170.71 8.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.739 -177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -89.97 143.61 26.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.133 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.69 107.21 21.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.32 0.581 . . . . 0.0 110.186 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -124.36 179.85 4.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.013 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -56.69 -36.24 69.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.055 0.455 . . . . 0.0 110.823 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.1 p -84.23 -28.01 27.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.04 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -103.97 -8.86 19.31 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.509 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 34.7 ptt180 -71.57 -20.39 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.814 0.34 . . . . 0.0 111.153 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -97.12 -6.4 35.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.012 0.434 . . . . 0.0 110.617 173.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.516 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 67.8 mtp180 -90.94 -62.63 1.41 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.732 -174.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.627 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 77.1 m -94.11 103.15 9.79 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -176.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 56.6 Cg_endo -74.53 -42.67 0.58 Allowed 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.168 1.912 . . . . 0.0 111.819 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.31 -46.39 90.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 0.0 110.295 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.627 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 25.6 m -63.37 -39.59 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' HD2' ' O ' ' A' ' 62' ' ' ARG . 61.8 ttt180 -66.48 -40.62 89.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.759 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.6 -50.78 71.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.063 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -59.09 -41.87 89.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.323 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.642 ' HB3' HG13 ' A' ' 15' ' ' VAL . 22.2 tptp -53.23 -44.45 68.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.778 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.88 -56.56 20.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.611 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.88 -29.18 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.524 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -65.8 -50.03 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 111.518 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.427 HG23 HD21 ' A' ' 27' ' ' LEU . 33.3 m -71.47 -22.08 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.658 -174.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.43 5.46 2.93 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.216 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 85.4 mtp -71.0 109.59 5.19 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.457 ' HB3' ' OE1' ' A' ' 81' ' ' GLU . 31.5 mmt180 -76.13 135.29 39.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.72 -173.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.549 ' O ' HG12 ' A' ' 83' ' ' VAL . 24.7 tp -72.13 -34.18 68.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.678 -176.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.457 ' OE1' ' HB3' ' A' ' 79' ' ' ARG . 1.2 pm0 -76.05 6.49 5.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.624 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB3' ' HD2' ' A' ' 25' ' ' TYR . . . -85.83 -2.76 58.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.059 0.457 . . . . 0.0 110.587 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.722 HG21 HG21 ' A' ' 41' ' ' VAL . 12.6 p -102.11 142.33 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.902 175.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.499 ' HD3' ' HB3' ' A' ' 88' ' ' MET . 65.6 mtt180 -108.87 122.12 46.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -176.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.411 ' HA ' HE22 ' A' ' 42' ' ' GLN . . . -83.7 -21.8 32.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.123 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 13.3 m-20 -74.85 -73.35 0.25 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.454 ' HG3' ' HG3' ' A' ' 89' ' ' ARG . 4.5 tpp180 -179.75 -91.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.894 170.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.499 ' HB3' ' HD3' ' A' ' 84' ' ' ARG . 53.8 tpp 45.82 86.7 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.526 0.517 . . . . 0.0 110.582 -172.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.454 ' HG3' ' HG3' ' A' ' 87' ' ' ARG . 67.1 mtp180 -76.31 61.13 1.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.63 -172.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.39 -177.63 17.87 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.45 175.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 76.25 165.33 19.72 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.314 -0.469 . . . . 0.0 113.3 174.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.442 ' HD3' ' H ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -108.13 175.58 5.43 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.447 ' OD1' ' HG3' ' A' ' 94' ' ' LYS . 25.2 t-20 -164.14 -70.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.922 0.391 . . . . 0.0 110.347 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HG3' ' OD1' ' A' ' 93' ' ' ASN . 54.7 mttp -84.13 -35.15 23.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.593 0.711 . . . . 0.0 109.88 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.454 ' HB3' ' HD2' ' A' ' 99' ' ' TYR . 71.5 m-85 -87.59 52.2 2.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.426 -178.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.04 -72.08 1.16 Allowed Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.427 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.12 -47.67 19.2 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.179 2.586 . . . . 0.0 112.885 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -63.93 -29.06 70.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.631 0.253 . . . . 0.0 111.351 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.473 ' OH ' ' HB3' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -69.89 -55.97 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.377 -178.275 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -64.73 -30.36 71.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.672 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -63.19 -47.94 80.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.095 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.08 -44.3 97.57 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.749 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.61 ' HD3' ' OH ' ' A' ' 23' ' ' TYR . 15.4 tpt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.09 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.191 0.519 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.539 ' O ' HG22 ' A' ' 20' ' ' VAL . 47.9 mt-10 -140.63 158.61 43.72 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.49 138.99 33.25 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.284 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 49.5 t -62.74 118.31 40.4 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.905 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.4 -11.52 23.2 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.889 2.393 . . . . 0.0 112.599 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.48 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 95.0 t -85.9 -66.01 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.966 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.52 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 25.9 p -91.59 -14.19 30.68 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -171.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.18 43.48 47.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.941 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.555 ' HB2' ' NH1' ' A' ' 62' ' ' ARG . 2.5 t70 -141.43 160.25 40.52 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -57.14 135.46 56.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.834 0.349 . . . . 0.0 111.556 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.61 HG11 ' HB3' ' A' ' 28' ' ' LEU . 35.1 m -80.57 146.52 7.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 p -91.18 -13.2 33.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.254 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.17 -159.81 33.28 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.686 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -108.1 113.44 26.58 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.486 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 76.1 m-70 -132.56 152.67 51.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.693 -176.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 65.74 -82.96 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.66 0.6 . . . . 0.0 111.272 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.87 19.71 0.43 Allowed Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.777 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.6 173.29 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.0 111.102 -175.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.61 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.7 mm? -72.63 117.78 14.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.761 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.486 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -138.75 153.31 48.45 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.541 -173.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.8 p -97.74 162.99 13.0 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.457 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -61.63 -33.11 73.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.952 0.406 . . . . 0.0 110.747 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.3 t -55.78 -52.96 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.928 -178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.6 m -63.78 -50.41 69.12 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -174.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -67.15 -23.18 65.76 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.115 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.36 -50.59 49.29 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.397 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -69.86 -40.77 75.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.612 0.244 . . . . 0.0 110.594 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -53.29 -55.03 27.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.663 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -71.42 -31.12 66.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.876 -177.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -62.71 -41.74 99.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.599 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.5 m -65.45 -48.71 71.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.419 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.64 HG11 HG11 ' A' ' 83' ' ' VAL . 54.8 t -61.67 -51.24 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.048 -179.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -59.34 -40.83 87.58 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.444 ' CB ' ' HG3' ' A' ' 45' ' ' LYS . 51.3 m-80 -83.97 -3.5 58.03 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.702 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.48 31.42 21.01 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.374 0.607 . . . . 0.0 109.543 -176.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' HG3' ' CB ' ' A' ' 43' ' ' ASN . 85.4 mttt -70.16 111.59 5.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.473 -174.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -102.51 89.48 3.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.609 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.495 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 94.4 m-85 -72.41 165.66 24.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.75 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -139.93 146.36 39.09 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.4 t -114.56 16.18 17.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.921 0.391 . . . . 0.0 110.655 -173.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.452 HG22 ' HG3' ' A' ' 51' ' ' GLU . 28.1 m 65.36 -76.27 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.534 -173.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HG3' HG22 ' A' ' 50' ' ' THR . 45.2 mt-10 -131.54 171.85 12.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 p 47.46 72.39 0.26 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.543 0.687 . . . . 0.0 110.496 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -66.2 -19.54 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.106 -174.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.1 p -113.89 79.59 1.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.794 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.1 m -81.05 167.28 19.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.56 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -75.23 110.81 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.141 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.2 mm -80.6 103.76 8.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.902 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -111.15 175.45 5.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.837 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -59.3 -26.49 65.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.388 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.6 p -88.97 -50.21 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.585 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -80.91 -0.29 38.54 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -171.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.555 ' NH1' ' HB2' ' A' ' 18' ' ' ASP . 30.3 ptt180 -73.1 -14.35 61.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.042 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -96.67 -6.86 35.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.893 0.378 . . . . 0.0 110.684 170.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.544 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 12.3 mtp180 -92.31 -54.02 3.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.758 -174.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.46 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 85.1 m -105.49 100.22 25.16 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.766 0.317 . . . . 0.0 111.587 -177.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 16.9 Cg_exo -68.12 -49.76 0.92 Allowed 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.726 2.284 . . . . 0.0 111.783 178.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 90.3 t80 -62.34 -42.89 99.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.747 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 56.7 m -64.88 -35.57 81.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.73 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -72.46 -34.1 67.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.058 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -64.04 -49.68 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.206 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -67.7 -29.05 68.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.01 179.054 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.48 ' HG3' ' HA ' ' A' ' 15' ' ' VAL . 42.4 tptt -60.34 -45.83 92.08 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.497 173.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 75.0 m -59.57 -41.7 90.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.257 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.33 -38.68 81.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.118 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.2 m -55.26 -46.38 76.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.956 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.6 m -77.5 -15.89 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.075 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.73 30.05 4.74 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 119.945 -1.121 . . . . 0.0 114.065 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 66.0 mtp -73.56 106.14 5.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 172.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -66.41 126.08 27.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.327 -169.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.19 -22.87 65.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.194 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.415 ' HB2' ' HZ ' ' A' ' 95' ' ' PHE . 16.6 mt-10 -65.12 -23.42 67.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.022 177.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.92 -34.07 39.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.276 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.64 HG11 HG11 ' A' ' 41' ' ' VAL . 2.8 p -78.97 97.22 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 110.218 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -92.73 104.67 16.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.798 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.64 -1.0 9.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.426 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -83.08 9.91 9.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.247 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 71.5 17.87 5.59 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.659 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 79.2 mmm -83.7 104.47 13.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.441 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -85.79 58.31 4.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.268 -176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.09 -176.55 31.14 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.448 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 138.1 69.72 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -83.22 85.07 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -135.57 -73.87 0.45 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -65.75 -31.44 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.187 0.517 . . . . 0.0 110.614 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.415 ' HZ ' ' HB2' ' A' ' 81' ' ' GLU . 50.1 m-85 -85.83 -6.13 59.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.615 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.91 -68.17 1.41 Allowed Glycine 0 C--N 1.331 0.291 0 O-C-N 123.487 0.492 . . . . 0.0 113.365 -175.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -53.1 -53.23 7.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.74 2.293 . . . . 0.0 113.235 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.2 ptm -62.59 -37.7 87.25 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -70.28 -49.23 51.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.968 0.414 . . . . 0.0 110.041 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -59.55 -42.83 93.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.201 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -66.25 -48.75 69.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.953 -176.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.12 -47.75 84.81 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.045 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.374 179.33 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 CA--C 1.518 -0.285 0 CA-C-O 121.271 0.558 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -128.75 151.37 49.63 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.358 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.1 mt -107.85 135.2 49.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.08 0.467 . . . . 0.0 110.948 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.67 114.99 18.28 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.355 176.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.645 ' HB2' HG11 ' A' ' 76' ' ' VAL . 24.1 Cg_endo -61.13 -14.65 34.82 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.013 2.475 . . . . 0.0 112.856 -174.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.577 HG11 ' SG ' ' A' ' 73' ' ' CYS . 61.7 t -85.11 -61.68 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.048 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.868 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 28.2 p -96.17 -16.7 21.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -170.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.87 60.34 4.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.686 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.498 ' OD1' ' HG2' ' A' ' 19' ' ' LYS . 1.8 t0 -159.78 -170.32 2.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HG2' ' OD1' ' A' ' 18' ' ' ASP . 35.8 mmtm -57.47 163.29 2.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.046 0.45 . . . . 0.0 111.64 -176.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.3 m -127.93 155.55 39.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.746 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.5 m -92.33 -5.19 52.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.297 0.57 . . . . 0.0 109.905 176.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' LEU . . . 118.46 -156.94 15.44 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.444 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -70.57 106.13 3.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.203 0.525 . . . . 0.0 111.004 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.477 ' HB3' ' OG1' ' A' ' 29' ' ' THR . 82.0 t60 -136.45 112.86 9.95 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.147 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 71.46 20.67 4.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.644 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.65 -15.17 63.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.177 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.3 mt -114.59 161.24 18.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.725 0.298 . . . . 0.0 110.903 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? -80.3 94.1 6.04 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 171.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.761 HG21 ' SD ' ' A' ' 78' ' ' MET . 44.5 p -126.16 160.25 30.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.838 0.352 . . . . 0.0 110.929 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.23 172.42 6.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.086 -174.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.725 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -65.03 -36.84 85.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.261 -178.314 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 m -60.95 -42.53 98.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.111 0.481 . . . . 0.0 110.867 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.8 m -75.83 -42.67 49.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.222 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.725 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 58.6 pttt -62.04 -36.02 80.34 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.152 178.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' A' ' 39' ' ' ARG . . . -63.68 -55.18 26.51 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.495 177.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.465 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 72.3 t80 -59.56 -38.52 81.32 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 111.286 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -59.45 -52.29 66.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.521 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' HG2' HG13 ' A' ' 83' ' ' VAL . 7.4 mtmp? -65.79 -38.39 88.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.74 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 86.8 mtt180 -55.89 -44.95 78.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -66.62 -51.24 58.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.9 -49.67 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.92 -176.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -70.9 -29.58 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -87.88 1.89 52.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.0 m120 59.55 39.52 21.48 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.61 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -91.37 150.27 21.35 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.666 -174.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -145.26 94.21 2.49 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.917 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -70.81 169.44 14.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.083 -174.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 p -119.41 171.27 8.45 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.943 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 38.3 t -121.32 -49.59 2.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.653 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 m 72.29 -43.85 0.57 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.899 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.93 -54.95 38.77 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 12.6 t -163.06 -27.9 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 52' ' ' SER . 72.9 mt-30 77.64 -47.59 0.48 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.586 0.754 . . . . 0.0 111.27 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.9 t -87.94 67.98 9.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.471 0.653 . . . . 0.0 109.359 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.8 m -93.15 155.55 17.4 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.581 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -83.38 83.76 7.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.84 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.678 HD11 ' HB2' ' A' ' 68' ' ' CYS . 51.0 mm -64.13 99.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.254 0.55 . . . . 0.0 110.863 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -125.73 -161.71 1.06 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.285 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 59' ' ' LYS . 39.4 ttmt -58.21 -34.69 70.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.953 0.158 . . . . 0.0 111.377 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 77.7 p -88.85 -50.01 6.46 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -78.28 -11.0 59.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -172.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.868 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 29.2 ptt180 -63.16 -25.26 68.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 111.371 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 60' ' ' THR . 14.8 ptmm? -96.78 -9.17 29.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.253 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -84.49 -33.55 23.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.826 0.346 . . . . 0.0 111.248 -175.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 72.3 m -132.75 101.56 14.09 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.128 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.42 -40.47 57.38 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.571 2.181 . . . . 0.0 111.497 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -59.56 -51.21 70.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.574 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.678 ' HB2' HD11 ' A' ' 57' ' ' ILE . 57.4 m -65.41 -35.19 80.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.939 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 72' ' ' LYS . 73.6 ttt180 -68.74 -38.12 79.92 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.977 0.417 . . . . 0.0 110.437 177.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.522 ' O ' HD13 ' A' ' 74' ' ' LEU . 64.6 t80 -63.45 -53.49 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.875 176.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.95 -27.28 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.552 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HD3' ' HB ' ' A' ' 57' ' ' ILE . 21.1 tptm -63.49 -43.87 96.02 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.158 176.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.589 ' HB3' ' HG3' ' A' ' 78' ' ' MET . 61.2 m -59.16 -48.53 81.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.479 0.656 . . . . 0.0 109.784 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 70' ' ' PHE . 9.1 mp -62.03 -40.31 95.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.879 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -54.58 -49.34 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.967 0.413 . . . . 0.0 110.821 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.645 HG11 ' HB2' ' A' ' 14' ' ' PRO . 35.5 m -78.55 -6.05 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.04 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.58 41.55 4.73 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.411 -0.899 . . . . 0.0 113.906 170.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.761 ' SD ' HG21 ' A' ' 29' ' ' THR . 26.1 mmm -67.27 137.3 56.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.893 0.378 . . . . 0.0 110.161 170.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -73.99 115.17 13.14 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.796 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.502 HD21 ' HG ' ' A' ' 74' ' ' LEU . 4.5 mm? -72.64 -30.49 64.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.46 176.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.552 ' HG2' ' HZ ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -82.84 -12.82 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.899 -177.57 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.42 -19.8 52.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.163 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.45 HG13 ' HG2' ' A' ' 38' ' ' LYS . 47.7 t -57.13 109.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.352 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 5.4 mmp_? -78.21 77.83 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.196 0.522 . . . . 0.0 110.864 -178.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.51 -3.01 38.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.014 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -79.6 1.74 24.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.336 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 66.64 17.66 10.64 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.957 0.884 . . . . 0.0 110.12 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 90.4 mtp -98.48 117.78 33.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.776 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -79.87 59.77 3.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.64 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.17 -119.23 0.78 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.311 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.1 26.42 34.14 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.516 -178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -77.37 86.52 3.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.855 -177.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -157.1 -38.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.819 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -59.25 -44.48 92.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.352 0.596 . . . . 0.0 110.394 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.552 ' HZ ' ' HG2' ' A' ' 81' ' ' GLU . 46.3 m-85 -101.21 11.78 38.74 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.327 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.511 ' O ' ' HG2' ' A' ' 100' ' ' LYS . . . -55.94 -51.47 55.22 Favored Glycine 0 CA--C 1.524 0.623 0 CA-C-N 115.478 -0.783 . . . . 0.0 113.396 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.71 -51.05 11.3 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.653 2.235 . . . . 0.0 112.733 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 25.3 ptm -70.87 -30.43 66.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.007 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -56.36 22.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 111.066 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 96' ' ' GLY . 7.0 ptpp? -68.34 -39.14 81.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -178.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 101' ' ' ARG . 11.8 ttm180 -65.71 -56.41 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.414 -176.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -33.82 74.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -176.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 103' ' ' ARG . 11.7 ttm180 . . . . . 0 C--N 1.332 -0.156 0 C-N-CA 120.567 -0.453 . . . . 0.0 109.842 176.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -73.23 155.84 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.771 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.9 mt -112.94 143.86 43.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.028 0.442 . . . . 0.0 110.772 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 t -69.06 110.66 6.51 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 174.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.9 11.87 0.29 Allowed 'Trans proline' 0 N--CA 1.476 0.481 0 C-N-CA 123.428 2.752 . . . . 0.0 114.422 -168.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.557 HG13 ' H ' ' A' ' 16' ' ' CYS . 2.9 p -112.28 -62.62 2.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.024 0.44 . . . . 0.0 111.133 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.557 ' H ' HG13 ' A' ' 15' ' ' VAL . 20.1 p -91.79 -20.4 21.55 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.444 -174.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.06 26.07 35.39 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.143 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -96.23 161.65 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -72.01 139.51 48.59 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.3 m -73.63 151.84 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.093 0.473 . . . . 0.0 111.831 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.5 t -108.95 -14.28 14.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.16 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.39 -177.77 33.22 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.546 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -78.78 120.11 22.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.718 0.295 . . . . 0.0 110.941 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.5 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 61.4 m-70 -136.75 118.49 15.06 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.47 ' CE1' HG12 ' A' ' 83' ' ' VAL . 42.4 m-85 67.24 28.93 7.9 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.171 176.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.02 -23.69 35.0 Favored Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.665 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mt -112.29 147.94 35.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.905 0.383 . . . . 0.0 111.643 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.33 114.54 12.82 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 171.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.5 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 20.7 p -136.12 167.34 21.44 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.743 -174.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 p -92.19 157.5 16.67 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.887 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -58.86 -28.2 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.195 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.74 -54.28 30.21 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.117 175.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.5 m -78.9 -32.37 45.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.039 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 31.7 ttpt -54.99 -51.2 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.048 0.452 . . . . 0.0 110.095 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.48 -47.53 83.1 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.418 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.01 -42.57 94.58 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.678 0.275 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.62 ' O ' HG22 ' A' ' 41' ' ' VAL . 12.1 t80 -61.04 -49.35 77.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.001 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 7.6 mtmp? -58.1 -46.45 85.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 O-C-N 123.231 0.332 . . . . 0.0 110.937 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -54.01 -43.4 70.03 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.993 0.425 . . . . 0.0 110.564 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.4 m -70.34 -57.13 5.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.705 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.776 HG21 HG11 ' A' ' 83' ' ' VAL . 17.3 m -68.69 -43.15 83.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -172.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.14 -39.84 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.691 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 46.0 m-80 -93.92 -3.35 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.328 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 59.3 38.3 23.21 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.699 0.761 . . . . 0.0 109.957 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.691 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 28.6 mtpp -68.41 125.87 27.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.602 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -107.92 111.07 22.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.114 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.606 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 71.8 m-85 -85.82 172.09 11.04 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.7 m -141.55 122.76 14.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.278 0.561 . . . . 0.0 111.382 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.43 -44.31 2.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.625 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 p 53.86 173.51 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.116 0.967 . . . . 0.0 112.911 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 65.7 -59.57 0.29 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.689 0.796 . . . . 0.0 111.524 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 m -139.27 92.4 2.58 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -67.83 -14.47 62.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.053 0.454 . . . . 0.0 110.526 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -110.64 83.96 1.85 Allowed 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.365 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 82.8 m -94.35 165.64 12.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.123 175.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HB2' ' NZ ' ' A' ' 56' ' ' LYS . 9.7 mtmp? -73.9 101.09 3.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.723 -178.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.577 HD11 ' HB2' ' A' ' 68' ' ' CYS . 47.0 mm -76.02 113.35 14.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.576 0.703 . . . . 0.0 110.094 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -140.53 -176.94 4.82 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.548 ' HA ' ' HD2' ' A' ' 62' ' ' ARG . 37.3 mtpt -74.69 -16.03 60.77 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.617 0.722 . . . . 0.0 109.362 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.4 p -79.9 -49.97 11.15 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.436 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.434 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 44.3 mt-30 -96.95 18.53 14.48 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -175.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.548 ' HD2' ' HA ' ' A' ' 59' ' ' LYS . 11.1 ptm85 -64.4 -39.47 93.92 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.601 0.239 . . . . 0.0 111.6 -177.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -95.61 -18.49 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HB2' ' HA ' ' A' ' 61' ' ' GLN . 76.3 mtp180 -71.21 -36.79 72.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.295 -174.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.449 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 83.2 m -126.81 84.32 63.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 120.797 0.332 . . . . 0.0 111.035 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.05 -38.41 28.46 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.581 2.187 . . . . 0.0 111.383 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.606 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 74.4 t80 -65.25 -47.67 75.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.391 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.577 ' HB2' HD11 ' A' ' 57' ' ' ILE . 43.3 m -64.26 -35.54 81.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.07 -46.24 90.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.933 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -61.73 -45.16 95.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.271 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -56.54 -37.83 71.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.265 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.903 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 14.0 ttmt -75.56 -27.62 58.69 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.268 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 84.1 m -57.07 -45.55 83.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 173.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.681 ' HG ' HD21 ' A' ' 80' ' ' LEU . 7.2 mp -72.63 -32.66 66.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 174.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.903 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 2.9 m -54.65 -47.95 72.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.694 175.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.6 m -80.03 -30.39 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.377 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.47 34.98 0.68 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.321 -0.943 . . . . 0.0 114.086 171.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 87.5 mtp -78.74 121.65 25.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.327 0.563 . . . . 0.0 109.537 175.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -68.37 125.4 26.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.39 -172.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.681 HD21 ' HG ' ' A' ' 74' ' ' LEU . 3.4 mm? -75.36 -46.41 33.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.282 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -77.33 3.03 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.489 -176.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.39 -29.44 33.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.725 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.776 HG11 HG21 ' A' ' 41' ' ' VAL . 19.2 m -71.94 144.11 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-O 121.177 0.513 . . . . 0.0 110.879 -178.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 91' ' ' GLY . 56.9 mtt180 -115.21 89.36 3.08 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.297 175.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.68 -16.31 25.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.252 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.24 -1.13 11.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.571 175.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? 66.44 85.47 0.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.833 175.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 57.5 tpp -142.57 121.43 12.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.231 176.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -80.92 60.0 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.237 0.541 . . . . 0.0 111.31 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.72 -127.95 2.01 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 84' ' ' ARG . . . 73.9 48.51 16.1 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.282 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -85.81 87.49 7.41 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -120.08 -62.42 1.48 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.334 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.846 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.13 -42.05 98.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.105 -175.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.641 ' O ' ' HG2' ' A' ' 98' ' ' MET . 67.0 m-85 -120.33 19.09 12.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.54 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.58 -60.36 7.52 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.432 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.74 -32.12 82.91 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 123.211 2.607 . . . . 0.0 114.17 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.641 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 25.5 ptm -64.21 -29.01 70.14 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.59 0.233 . . . . 0.0 111.24 -174.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -60.89 -54.79 40.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.166 0.508 . . . . 0.0 111.122 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -71.88 -20.76 61.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.637 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.442 ' HB3' ' O ' ' A' ' 98' ' ' MET . 35.2 ttp180 -61.87 -55.48 29.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -34.57 72.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.811 178.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 3.6 mmp_? . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.749 174.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 N--CA 1.463 0.204 0 CA-C-O 120.999 0.428 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.603 ' HG2' HD22 ' A' ' 28' ' ' LEU . 32.3 mp0 -92.19 145.17 24.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.184 0.516 . . . . 0.0 110.582 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -136.74 155.42 49.87 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.41 110.46 5.3 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.418 ' HG2' HG21 ' A' ' 76' ' ' VAL . 61.1 Cg_endo -74.19 12.65 0.98 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.996 2.464 . . . . 0.0 112.823 -173.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.5 t -104.09 -57.51 4.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.48 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HA ' HG22 ' A' ' 57' ' ' ILE . 14.2 p -111.07 -12.9 14.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -173.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.41 27.79 35.09 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.735 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -97.21 170.24 9.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.561 -0.376 . . . . 0.0 110.158 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 37.9 mtmm -72.37 150.32 43.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.688 0.28 . . . . 0.0 110.268 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.2 m -78.03 148.19 6.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.117 0.484 . . . . 0.0 111.345 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -106.99 7.17 29.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.284 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.16 -178.24 17.02 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.968 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.96 118.56 6.41 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.569 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 7.9 m-70 -134.48 112.45 10.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.504 0.192 . . . . 0.0 110.974 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 74.35 -54.0 0.68 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.638 0.775 . . . . 0.0 112.03 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.9 -39.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.31 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.867 HD22 HG13 ' A' ' 76' ' ' VAL . 5.9 mp -118.45 174.8 6.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD22 ' HG2' ' A' ' 11' ' ' GLU . 6.1 mp -81.62 105.6 12.9 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 171.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 60.8 p -121.21 171.21 8.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.153 -176.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 11.5 p -94.55 156.47 16.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.622 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 55.1 mm-40 -57.32 -26.86 61.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.728 174.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 m -59.28 -47.69 84.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.755 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 89.0 m -82.53 -35.2 27.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 33.4 tttm -56.66 -46.02 81.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.968 0.413 . . . . 0.0 110.739 173.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.13 72.45 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.122 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -57.37 -43.78 83.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.942 0.401 . . . . 0.0 110.992 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.588 ' O ' HG22 ' A' ' 41' ' ' VAL . 51.5 t80 -59.15 -51.53 69.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.134 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' A' ' 38' ' ' LYS . 16.2 mtpp -59.15 -44.12 92.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.831 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -54.84 -43.07 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 110.588 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.8 m -69.92 -55.45 9.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.601 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.702 HG21 HG21 ' A' ' 83' ' ' VAL . 13.8 m -63.08 -43.16 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 10.4 mm-40 -70.24 -24.7 63.12 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -174.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.665 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 56.6 m-80 -107.16 2.5 24.85 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.817 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.409 HD22 ' N ' ' A' ' 44' ' ' ASN . 0.9 OUTLIER 59.84 40.1 19.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.334 0.588 . . . . 0.0 109.625 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.665 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 27.7 mtpp -76.47 110.1 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.29 -173.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -103.72 110.83 23.07 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.732 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 60.1 m-85 -88.56 -175.0 4.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.737 -175.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -142.74 159.16 42.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.291 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.687 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 42.3 t -145.86 152.83 40.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.1 p -89.87 178.59 6.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.53 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 64.35 -87.12 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.76 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.5 p -145.79 5.63 1.03 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.35 -176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.687 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 23.3 mt-30 68.38 3.76 3.91 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.319 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -91.24 70.25 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.422 0.63 . . . . 0.0 110.586 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 38.7 m -108.24 163.84 12.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.148 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.555 ' N ' ' HD3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -107.91 143.32 36.71 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.696 HG13 ' HA ' ' A' ' 69' ' ' ARG . 43.8 mm -101.81 121.1 52.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.195 0.521 . . . . 0.0 110.473 -177.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.514 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 17.9 t70 -135.5 -177.03 4.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.936 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -54.12 -43.75 70.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.356 0.598 . . . . 0.0 110.848 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 t -86.42 -24.96 25.5 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.336 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.514 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 45.5 mt-30 -95.48 4.3 53.38 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.157 -0.34 . . . . 0.0 111.895 -174.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -72.67 -28.6 62.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.418 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -95.6 -8.21 35.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.646 0.26 . . . . 0.0 111.449 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.538 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 72.2 mtp180 -79.16 -63.4 1.43 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -174.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.458 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 80.6 m -108.9 94.64 15.02 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.78 0.324 . . . . 0.0 110.856 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 18.9 Cg_exo -66.66 -35.08 30.03 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.595 2.197 . . . . 0.0 111.501 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.732 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 61.9 t80 -68.57 -46.09 70.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.457 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 53.8 m -62.57 -38.54 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.154 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.696 ' HA ' HG13 ' A' ' 57' ' ' ILE . 66.7 ttt180 -68.44 -41.25 80.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.709 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.34 -47.59 85.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.184 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -63.39 -36.75 84.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.527 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -61.51 -40.85 96.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.438 177.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 71.0 m -61.65 -48.46 80.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.037 0.446 . . . . 0.0 110.235 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.573 ' HA ' ' O ' ' A' ' 78' ' ' MET . 71.9 mt -64.4 -48.61 74.75 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.737 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.0 m -50.53 -44.13 56.25 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.731 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.867 HG13 HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -65.41 -26.96 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.038 -176.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.466 ' HA3' HD11 ' A' ' 27' ' ' LEU . . . 134.79 -0.9 3.81 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.584 -1.294 . . . . 0.0 113.41 177.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.573 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 88.2 mtp -77.29 120.87 22.92 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.524 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 22.7 mmt180 -94.4 149.74 20.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.842 0.353 . . . . 0.0 111.125 -173.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.62 -36.77 76.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.397 0.618 . . . . 0.0 110.294 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -82.81 5.24 22.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.19 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 79' ' ' ARG . . . -88.86 -20.04 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.702 HG21 HG21 ' A' ' 41' ' ' VAL . 2.4 p -93.77 118.97 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.132 0.492 . . . . 0.0 110.836 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 88' ' ' MET . 28.1 tpt180 -70.59 105.11 3.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.946 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.36 -26.16 35.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.591 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.51 ' HB3' ' NE ' ' A' ' 84' ' ' ARG . 5.2 t70 -51.67 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.599 177.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 171.89 -37.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.634 0.374 . . . . 0.0 110.24 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.52 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 85.5 mmm -52.86 120.02 5.29 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.955 -177.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -79.95 59.71 3.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.015 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.56 113.39 3.65 Favored Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.886 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.648 ' O ' ' HD2' ' A' ' 92' ' ' ARG . . . -50.44 -49.28 39.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.351 -0.452 . . . . 0.0 112.139 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.648 ' HD2' ' O ' ' A' ' 91' ' ' GLY . 19.8 mmm180 -123.38 129.56 51.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -104.32 -70.79 0.76 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.414 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -113.43 -40.77 3.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.125 0.488 . . . . 0.0 110.393 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 81.5 m-85 -84.62 54.39 3.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.791 -173.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.468 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -76.78 -59.79 3.12 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.872 177.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 9.3 Cg_endo -52.53 -52.68 8.35 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.169 2.579 . . . . 0.0 113.548 -177.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.8 ptm -60.54 -29.92 69.43 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.851 0.358 . . . . 0.0 111.102 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 1.1 t80 -71.07 -48.84 50.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.545 0.688 . . . . 0.0 109.611 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -62.81 -41.95 99.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.656 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -63.68 -45.52 89.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.277 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.77 -46.97 87.28 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.236 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.826 179.417 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.96 157.66 31.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.771 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.6 mt -98.45 144.42 27.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.195 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.1 m -65.42 127.36 92.88 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.095 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.55 -3.59 12.18 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.355 2.036 . . . . 0.0 111.947 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.8 t -93.79 -65.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.746 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.5 p -94.92 -28.64 15.08 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -173.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.64 18.25 33.28 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.67 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -119.3 166.25 13.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.295 0.548 . . . . 0.0 110.528 176.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 19' ' ' LYS . 10.2 mtpm? -51.61 129.56 26.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.305 0.574 . . . . 0.0 112.414 -175.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -69.14 152.81 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.818 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.406 ' H ' ' HA ' ' A' ' 30' ' ' CYS . 20.1 m -98.15 5.57 48.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.401 0.62 . . . . 0.0 109.784 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.68 -172.15 15.72 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.88 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB3' ' OH ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -71.9 128.55 36.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 177.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.48 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 24.0 m-70 -136.72 -104.38 0.2 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.695 0.283 . . . . 0.0 111.261 176.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.412 ' HD1' ' HB3' ' A' ' 24' ' ' HIS . 3.9 m-85 -83.72 81.93 8.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.855 0.36 . . . . 0.0 111.109 -174.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.55 -18.17 30.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.386 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.483 HD21 HG23 ' A' ' 76' ' ' VAL . 2.4 pt? -164.81 -171.08 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.022 0.411 . . . . 0.0 110.564 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.7 mp -76.78 119.55 20.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.183 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.48 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 2.0 p -144.89 154.35 42.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.938 -178.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.406 ' HA ' ' H ' ' A' ' 21' ' ' SER . 30.0 p -88.83 173.47 8.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.851 0.358 . . . . 0.0 110.29 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -61.47 -29.78 70.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.215 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 t -66.2 -38.79 88.85 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.677 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.6 m -60.95 -58.72 7.26 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.628 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 25' ' ' TYR . 19.4 pttp -71.33 -21.57 62.03 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.132 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.18 -58.42 11.76 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.811 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -68.42 -41.03 80.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.653 0.264 . . . . 0.0 111.001 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -56.12 -52.47 64.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.232 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.644 ' HA ' HG22 ' A' ' 41' ' ' VAL . 51.2 pttt -73.88 -34.42 64.45 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.917 -176.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -53.01 -44.2 67.12 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.252 0.549 . . . . 0.0 110.431 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.1 m -67.42 -53.98 24.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.441 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.644 HG22 ' HA ' ' A' ' 38' ' ' LYS . 15.9 m -64.34 -43.44 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.51 ' OE1' ' HA ' ' A' ' 85' ' ' ALA . 17.5 mm-40 -63.45 -23.78 67.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.345 . . . . 0.0 111.723 -176.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -106.54 7.61 30.91 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.63 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.4 31.53 21.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.426 176.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -81.98 136.15 35.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.796 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -127.04 122.76 35.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.828 174.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.403 ' CG ' ' HB2' ' A' ' 66' ' ' PRO . 89.9 m-85 -98.15 158.42 15.56 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.145 -178.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.9 m -126.21 123.57 38.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.523 ' SG ' ' HG3' ' A' ' 53' ' ' GLN . 18.2 t -115.36 4.14 14.32 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 175.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 44.9 m 72.64 109.02 0.07 Allowed 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.702 -178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 50' ' ' THR . 10.2 mm-40 68.59 -170.21 0.18 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.266 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 17.6 m -73.99 -32.59 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.43 -177.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.629 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 14.6 mm100 73.15 -53.15 0.7 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 172.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 m 61.67 29.59 18.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.344 0.403 . . . . 0.0 110.701 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 53' ' ' GLN . 60.3 m -57.78 139.67 53.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.542 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.94 107.18 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.149 0.499 . . . . 0.0 111.032 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.41 HD11 ' HB2' ' A' ' 68' ' ' CYS . 24.1 mm -77.37 116.6 21.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.745 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 15.4 t70 -143.62 -163.4 1.65 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.619 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 33.5 mtmm -70.3 -23.65 62.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.166 0.508 . . . . 0.0 110.177 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.6 p -81.48 -50.54 9.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.509 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -102.36 8.79 40.16 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -170.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.619 ' NE ' ' HA ' ' A' ' 59' ' ' LYS . 11.1 ptp180 -53.67 -42.67 68.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 -7.68 33.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.669 0.271 . . . . 0.0 111.48 -176.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -74.93 -43.13 55.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.431 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.57 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 68.3 m -119.69 91.49 44.98 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.011 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HB2' ' CG ' ' A' ' 47' ' ' TYR . 32.1 Cg_exo -59.39 -41.7 55.76 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.614 2.21 . . . . 0.0 111.722 176.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -47.0 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 40.5 m -67.43 -37.69 83.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.556 -178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -66.77 -37.3 84.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.322 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.37 -56.73 18.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.113 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.66 -35.49 72.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -58.24 -43.41 87.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.573 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 66.2 m -60.38 -51.11 70.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.233 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.618 ' HA ' ' O ' ' A' ' 78' ' ' MET . 7.6 mp -61.55 -30.15 70.47 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.637 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.0 m -65.12 -49.42 70.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.782 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.483 HG23 HD21 ' A' ' 27' ' ' LEU . 34.3 m -73.32 -18.29 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -171.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.84 -12.21 2.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.054 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.618 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 77.5 mtp -69.34 113.08 6.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -107.71 164.75 11.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.162 0.506 . . . . 0.0 111.832 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.63 -21.99 54.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.99 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.52 -17.65 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.138 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.73 2.02 53.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.666 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 41' ' ' VAL . 41.6 t -101.03 111.82 31.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 84' ' ' ARG . 57.3 mtt180 -80.32 89.27 5.53 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.514 174.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.51 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . . . -56.54 -21.76 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.457 171.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.02 -25.85 23.36 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.196 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 65.92 89.3 0.1 Allowed 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.554 0.742 . . . . 0.0 110.726 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 75.8 mmm -98.45 -175.98 3.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.009 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -115.55 17.36 16.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.347 173.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.12 -160.95 28.13 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.478 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.93 133.94 7.42 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.992 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -66.72 150.57 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.41 152.72 43.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.264 -175.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.26 -21.8 66.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.722 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.456 ' HB3' ' SD ' ' A' ' 98' ' ' MET . 11.3 m-30 -79.58 38.77 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.815 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.54 -53.93 22.94 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.587 -0.563 . . . . 0.0 113.975 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.24 -54.96 4.33 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.786 2.324 . . . . 0.0 113.589 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.456 ' SD ' ' HB3' ' A' ' 95' ' ' PHE . 4.8 ppp? -69.7 -29.46 66.87 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.813 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.568 ' OH ' ' HB3' ' A' ' 23' ' ' TYR . 67.3 t80 -67.62 -44.23 78.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.129 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -63.95 -44.61 92.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.72 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.74 -45.72 81.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.89 -44.98 91.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 0.0 110.104 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.401 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 54.2 ttp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.605 178.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 121.438 0.637 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -94.8 161.62 14.1 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.107 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -117.03 150.38 38.72 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.4 m -60.41 128.98 88.75 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.24 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HB2' HG21 ' A' ' 76' ' ' VAL . 73.7 Cg_endo -71.7 12.3 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 123.371 2.714 . . . . 0.0 113.096 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.661 HG13 ' H ' ' A' ' 16' ' ' CYS . 2.4 p -131.93 -69.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.583 176.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.661 ' H ' HG13 ' A' ' 15' ' ' VAL . 29.9 p -77.91 -18.41 56.15 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -176.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.26 9.74 86.22 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.826 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.41 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 10.4 m-20 -78.31 158.74 28.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.676 0.274 . . . . 0.0 111.033 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -63.24 134.08 55.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.925 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.96 143.0 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.24 0.543 . . . . 0.0 111.551 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 t -105.34 25.63 10.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.86 175.51 19.92 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.305 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CD2' ' HD3' ' A' ' 103' ' ' ARG . 80.1 t80 -80.26 117.12 20.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.483 ' HA ' ' OH ' ' A' ' 99' ' ' TYR . 93.8 m-70 -143.68 135.89 26.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.95 -176.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 24' ' ' HIS . 3.4 m-85 75.31 -35.12 0.27 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.457 0.703 . . . . 0.0 112.681 172.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.02 -26.2 0.17 Allowed Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 111.805 -0.518 . . . . 0.0 111.805 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -127.4 -175.26 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 mp -93.47 119.45 32.56 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 171.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 33' ' ' CYS . 20.1 p -137.55 158.23 44.82 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -173.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.4 p -83.82 178.44 7.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.986 0.422 . . . . 0.0 111.229 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -63.61 -38.31 90.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.086 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -36.29 83.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.267 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.492 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 98.0 m -62.45 -53.31 56.68 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.658 0.266 . . . . 0.0 110.476 176.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -59.67 -44.17 93.7 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.995 0.426 . . . . 0.0 110.803 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -63.87 -55.83 22.3 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.53 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.406 ' CD2' ' HD2' ' A' ' 69' ' ' ARG . 92.7 t80 -62.79 -37.57 87.19 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.497 0.189 . . . . 0.0 111.222 -177.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 41' ' ' VAL . 32.3 t80 -58.41 -53.3 59.85 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.693 ' HG2' HG13 ' A' ' 83' ' ' VAL . 26.1 mtmm -64.79 -41.58 95.73 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.531 -0.467 . . . . 0.0 111.411 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 36.2 mmt180 -49.48 -44.66 46.14 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.928 0.394 . . . . 0.0 111.418 177.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.1 m -71.04 -48.15 54.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.24 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.64 ' HB ' HG11 ' A' ' 83' ' ' VAL . 20.8 t -70.38 -41.89 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.755 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -58.47 -40.82 83.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.173 0.511 . . . . 0.0 110.729 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.484 HD22 ' N ' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -90.28 -0.65 57.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.728 -177.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 p30 44.2 43.28 5.69 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.729 0.812 . . . . 0.0 111.293 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HE2' ' CB ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -99.27 162.14 13.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.051 -176.085 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -129.28 147.85 51.15 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.656 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 83.5 m-85 -107.48 156.23 19.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.084 0.468 . . . . 0.0 111.557 -173.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.0 m -105.11 129.08 53.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.839 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.5 t -98.0 -52.88 3.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.777 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.9 m 72.56 -38.33 0.42 Allowed 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.59 0.556 . . . . 0.0 112.286 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.85 -56.02 23.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.734 0.302 . . . . 0.0 111.617 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 28.3 t -168.25 -26.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.833 -175.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 52' ' ' SER . 89.3 mt-30 76.22 -42.4 0.44 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.344 0.658 . . . . 0.0 110.687 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -85.35 31.64 0.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.299 177.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.9 m -68.41 158.8 32.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.123 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -91.77 109.34 20.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.155 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 68' ' ' CYS . 43.2 mm -84.59 112.64 22.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.624 176.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 2.2 p-10 -127.5 -168.04 1.83 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.284 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.57 -29.21 70.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.535 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 57.4 p -90.29 -50.84 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.415 ' HG2' ' NH1' ' A' ' 64' ' ' ARG . 65.5 mt-30 -83.25 5.95 21.25 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.501 ' HA ' HG23 ' A' ' 57' ' ' ILE . 14.7 ptt180 -53.13 -36.91 61.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.081 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.742 ' HA ' HH21 ' A' ' 69' ' ' ARG . 0.1 OUTLIER -95.55 -6.37 40.57 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -175.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.415 ' NH1' ' HG2' ' A' ' 61' ' ' GLN . 97.1 mtt180 -81.66 -38.77 25.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.447 -174.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.452 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 81.7 m -119.26 95.44 49.3 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.794 0.33 . . . . 0.0 111.293 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 26.7 Cg_endo -64.6 -37.72 35.82 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.472 2.114 . . . . 0.0 111.235 175.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.656 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 87.6 t80 -61.01 -53.64 54.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.523 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.548 ' HB2' HD11 ' A' ' 57' ' ' ILE . 34.1 m -64.15 -33.73 76.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.921 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.742 HH21 ' HA ' ' A' ' 63' ' ' LYS . 28.6 ttm180 -63.56 -52.18 62.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.135 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.43 -44.36 97.26 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.935 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.89 -39.08 87.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.916 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.908 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 55.7 tttt -72.44 -27.91 62.62 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 121.111 -0.235 . . . . 0.0 111.494 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 74.7 m -59.98 -46.99 87.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.741 HD21 HD13 ' A' ' 80' ' ' LEU . 28.6 mt -70.24 -39.53 74.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.09 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.908 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 3.1 m -50.52 -51.96 42.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.911 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -70.73 -17.99 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.734 -176.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.43 25.56 6.28 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 119.872 -1.156 . . . . 0.0 113.548 174.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.0 mmm -75.01 118.43 17.96 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -59.92 118.97 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.741 HD13 HD21 ' A' ' 74' ' ' LEU . 17.5 tp -69.06 -33.42 73.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.477 0.656 . . . . 0.0 109.891 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.34 -5.29 10.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.743 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HA ' HD22 ' A' ' 93' ' ' ASN . . . -79.68 3.3 19.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.14 0.495 . . . . 0.0 110.713 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.693 HG13 ' HG2' ' A' ' 38' ' ' LYS . 58.7 t -102.21 98.76 7.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.447 175.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.531 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -80.01 71.59 6.73 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.509 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.32 -4.16 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.402 -171.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -89.58 15.57 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.47 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 65.28 70.36 0.46 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.404 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.496 ' HB3' ' HG2' ' A' ' 84' ' ' ARG . 13.7 tpt -147.71 121.47 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.444 174.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -92.27 60.91 3.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.366 0.603 . . . . 0.0 111.718 -173.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.06 127.13 7.93 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.051 177.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -66.1 -26.8 72.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.41 -0.424 . . . . 0.0 113.252 -176.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.1 mtm180 -130.66 118.7 21.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.313 0.578 . . . . 0.0 111.28 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.586 HD22 ' HA ' ' A' ' 82' ' ' ALA . 54.7 m-20 -80.57 -162.34 0.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.649 173.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.439 ' HE2' ' CA ' ' A' ' 94' ' ' LYS . 10.3 mmpt? -67.68 -24.6 65.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.357 . . . . 0.0 111.418 -172.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -89.46 16.6 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.1 0.476 . . . . 0.0 110.434 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.54 -50.74 47.11 Favored Glycine 0 CA--C 1.526 0.739 0 CA-C-N 115.712 -0.677 . . . . 0.0 114.155 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 73.8 Cg_exo -52.43 -56.36 2.95 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.545 2.163 . . . . 0.0 113.19 177.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.8 ptm -64.61 -33.33 75.67 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.818 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 24' ' ' HIS . 60.9 t80 -60.23 -47.07 87.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.255 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -66.9 -38.58 86.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.924 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 97' ' ' PRO . 22.0 mtm180 -61.02 -51.79 67.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.776 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.82 -43.23 98.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.649 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.454 ' HD3' ' CD2' ' A' ' 23' ' ' TYR . 28.9 tpt180 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.639 ' HG3' ' HG ' ' A' ' 28' ' ' LEU . 61.5 mm-40 -141.13 162.54 35.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.324 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.8 mt -132.4 148.99 52.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.148 172.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.6 t -68.37 117.05 46.0 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.12 -8.01 21.54 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.904 2.403 . . . . 0.0 112.625 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -87.25 -55.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.209 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.49 -16.21 11.94 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -170.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.16 23.47 48.37 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.597 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -102.95 -172.17 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 73.5 mmtt -72.52 172.42 10.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.517 HG11 ' HB3' ' A' ' 28' ' ' LEU . 16.4 m -112.91 160.28 12.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.028 0.442 . . . . 0.0 111.1 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 t -109.62 10.56 24.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.425 0.631 . . . . 0.0 109.532 179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.61 -171.93 14.0 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.803 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -80.77 105.7 12.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.976 0.417 . . . . 0.0 109.966 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.523 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 94.5 m-70 -134.73 130.93 36.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.613 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 65.93 15.72 10.18 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.967 173.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.8 -11.55 27.5 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.466 176.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.23 175.05 9.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.072 0.436 . . . . 0.0 111.086 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.639 ' HG ' ' HG3' ' A' ' 11' ' ' GLU . 3.2 mm? -81.58 102.81 10.87 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 172.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 17.2 p -126.34 152.63 45.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.275 -174.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.535 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 1.6 p -96.42 159.66 14.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.161 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.708 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 12.6 tp10 -73.27 -6.84 48.64 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -177.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.3 p -74.87 -45.4 43.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.185 0.517 . . . . 0.0 109.693 173.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.2 m -77.58 -40.6 41.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.909 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.708 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 49.4 tttm -63.22 -33.01 74.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.676 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.56 ' HA2' ' NZ ' ' A' ' 38' ' ' LYS . . . -63.15 -53.33 40.81 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -59.07 -47.04 86.68 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.657 0.269 . . . . 0.0 110.473 176.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.474 ' O ' HG22 ' A' ' 41' ' ' VAL . 42.8 t80 -53.96 -52.43 60.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.087 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.706 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 32.3 mtmm -62.36 -50.63 70.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.77 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 39' ' ' ARG . 9.1 mmt180 -58.9 -30.39 67.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 111.398 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.951 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 73.5 m -70.63 -54.53 11.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.987 177.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.813 HG21 HG21 ' A' ' 83' ' ' VAL . 12.0 m -65.07 -39.75 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 38' ' ' LYS . 59.1 mt-30 -55.64 -42.21 74.65 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.616 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.605 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 48.3 m-80 -97.98 -0.23 45.15 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.886 -176.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.78 33.08 15.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.181 0.515 . . . . 0.0 109.864 -178.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.951 ' HE2' ' HA ' ' A' ' 40' ' ' THR . 44.2 mtmt -66.38 126.48 28.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.869 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -135.18 120.36 18.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -114.2 177.97 4.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 p -138.58 151.57 47.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.883 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 49.7 t -108.85 -27.79 9.54 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.027 -177.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.746 HG22 ' HG3' ' A' ' 51' ' ' GLU . 54.2 m 70.45 146.23 0.06 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.142 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.746 ' HG3' HG22 ' A' ' 50' ' ' THR . 38.6 mt-10 76.48 -91.68 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.837 0.855 . . . . 0.0 111.618 175.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 54' ' ' SER . 33.6 t -90.16 -55.52 3.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.54 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 27.3 mt-30 70.72 -17.38 0.29 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.615 0.766 . . . . 0.0 112.222 177.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 52' ' ' SER . 21.5 t -93.64 70.58 4.19 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.1 m -96.13 149.07 22.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.154 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -80.2 153.39 28.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.11 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.492 HG13 ' HA ' ' A' ' 69' ' ' ARG . 49.1 mm -115.45 110.87 33.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.04 0.448 . . . . 0.0 110.727 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -129.55 -166.32 1.64 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.68 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -54.64 -38.86 67.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.113 0.482 . . . . 0.0 111.268 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.2 p -89.46 -49.51 6.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.091 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -78.56 -2.45 38.91 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.424 ' HA ' HG23 ' A' ' 57' ' ' ILE . 34.8 ptt180 -67.72 -30.93 70.55 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.405 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -95.98 -8.86 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.668 0.271 . . . . 0.0 111.34 175.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -85.06 -38.9 18.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.671 0.272 . . . . 0.0 111.662 -174.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.497 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 68.8 m -122.98 95.03 46.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.882 0.372 . . . . 0.0 111.524 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 26.6 Cg_endo -64.13 -45.73 9.46 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.502 2.135 . . . . 0.0 111.946 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.04 -48.97 79.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.757 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 34.8 m -63.17 -35.59 80.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.646 -178.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.492 ' HA ' HG13 ' A' ' 57' ' ' ILE . 74.8 ttt180 -70.89 -40.88 71.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.869 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -61.48 -49.07 78.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.156 0.503 . . . . 0.0 109.979 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.65 -33.37 75.78 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.528 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -59.8 -46.02 90.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.342 . . . . 0.0 110.371 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.501 ' O ' HG22 ' A' ' 76' ' ' VAL . 64.2 m -59.64 -44.37 93.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.241 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -71.21 -31.29 67.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.313 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.2 m -58.6 -49.49 77.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.802 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 73' ' ' CYS . 16.4 m -67.24 -18.62 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.329 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.16 21.95 7.1 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.174 -1.013 . . . . 0.0 113.071 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 73' ' ' CYS . 85.7 mtp -65.96 109.8 2.67 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -58.25 109.92 0.85 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.783 -173.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 tp -71.41 -31.76 67.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.704 178.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.731 ' HG3' ' HZ ' ' A' ' 95' ' ' PHE . 10.6 pt-20 -78.13 -2.28 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.424 177.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.92 -38.73 19.03 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.851 0.358 . . . . 0.0 110.693 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.813 HG21 HG21 ' A' ' 41' ' ' VAL . 4.0 p -78.49 113.89 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 121.692 0.758 . . . . 0.0 110.676 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -104.05 103.29 13.09 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.186 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 42' ' ' GLN . . . -76.01 1.48 15.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.175 -170.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.63 -82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.047 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 87' ' ' ARG . 11.1 tpt180 -172.96 31.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.506 0.67 . . . . 0.0 109.644 172.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 71.7 mmm -96.73 105.08 17.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.056 0.455 . . . . 0.0 110.589 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -80.75 59.86 3.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.462 -175.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 128.1 -128.09 5.91 Favored Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.993 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.58 62.55 1.14 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -81.17 86.14 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -136.93 -56.6 0.72 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.037 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -61.82 -34.13 75.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.107 0.479 . . . . 0.0 110.758 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.731 ' HZ ' ' HG3' ' A' ' 81' ' ' GLU . 72.2 m-85 -100.79 11.13 40.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.723 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.449 ' O ' ' HG2' ' A' ' 100' ' ' LYS . . . -50.62 -64.22 3.85 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 116.065 -0.516 . . . . 0.0 113.465 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.63 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 36.1 Cg_exo -58.23 -48.26 16.57 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.748 2.298 . . . . 0.0 113.387 -177.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -71.64 -34.31 69.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -69.6 -48.12 61.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 0.0 110.357 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.63 ' HE2' ' HA ' ' A' ' 97' ' ' PRO . 62.8 pttt -68.15 -33.94 75.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.501 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -64.71 -57.18 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.766 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -41.58 90.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.388 . . . . 0.0 110.916 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.033 -179.682 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 N--CA 1.461 0.117 0 CA-C-O 121.079 0.466 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HG3' HD22 ' A' ' 28' ' ' LEU . 26.1 mm-40 -68.51 145.04 54.39 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.303 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.5 mt -111.36 147.14 35.81 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.751 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -71.85 114.56 29.8 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.884 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.78 7.46 1.97 Allowed 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.639 2.226 . . . . 0.0 113.042 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.5 t -95.7 -62.11 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.036 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.8 p -99.66 -16.11 18.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.006 -174.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.43 0.13 82.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.194 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.98 -177.26 6.34 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB3' ' HE2' ' A' ' 19' ' ' LYS . 45.6 mtpt -82.08 156.17 24.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.702 0.287 . . . . 0.0 110.438 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.8 m -93.37 158.78 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.503 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 p -108.04 -7.48 16.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.331 0.586 . . . . 0.0 109.917 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.26 -172.18 29.35 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.98 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -80.61 112.67 18.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.926 0.393 . . . . 0.0 110.023 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.577 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 50.6 m-70 -130.49 140.53 50.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 24' ' ' HIS . 42.3 m-85 69.37 -79.39 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.567 0.542 . . . . 0.0 111.277 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.21 21.06 0.56 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.537 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -175.68 -175.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.479 HD22 ' HG3' ' A' ' 11' ' ' GLU . 7.0 mp -81.63 118.99 23.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.326 0.584 . . . . 0.0 110.243 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 1.7 p -138.54 -171.38 3.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.872 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.5 p -131.01 156.14 45.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.32 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.639 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 3.6 mp0 -57.23 -23.41 47.79 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.978 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.9 t -61.18 -57.06 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.68 0.276 . . . . 0.0 110.366 177.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.0 m -71.7 -39.87 69.91 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.639 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 74.9 tttt -47.15 -56.07 7.3 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.563 0.697 . . . . 0.0 111.154 173.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.13 -42.89 66.04 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.557 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -60.52 -44.13 96.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.781 0.324 . . . . 0.0 110.571 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.512 ' O ' HG22 ' A' ' 41' ' ' VAL . 13.2 t80 -58.18 -49.71 76.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.228 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' NZ ' ' HG2' ' A' ' 34' ' ' LYS . 26.2 mtmm -62.94 -44.67 95.42 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.445 177.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.6 mtm-85 -64.95 -18.0 64.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.653 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 51.0 m -85.61 -49.1 8.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.861 0.362 . . . . 0.0 110.622 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.695 HG21 HG11 ' A' ' 83' ' ' VAL . 14.5 m -70.51 -39.97 76.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -56.27 -40.44 74.24 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.677 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 89.8 m-20 -92.3 4.67 52.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.683 -175.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 60.99 33.72 19.63 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.236 0.541 . . . . 0.0 110.091 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.677 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 55.2 mtpt -73.38 120.55 19.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.318 -174.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -120.88 151.69 39.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.544 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.723 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 79.0 m-85 -139.77 170.61 15.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.235 0.54 . . . . 0.0 111.372 -175.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.9 m -144.95 95.13 2.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.709 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.712 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 39.0 t -73.5 -14.9 61.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.428 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.619 HG22 ' HG3' ' A' ' 51' ' ' GLU . 14.3 m 75.39 145.91 0.09 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.705 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.619 ' HG3' HG22 ' A' ' 50' ' ' THR . 41.1 mt-10 70.96 -85.4 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.904 174.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.7 p -93.62 -33.5 13.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.685 0.279 . . . . 0.0 110.831 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.712 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 53.2 mt-30 64.67 9.75 5.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.798 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -151.56 85.72 1.32 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.42 0.629 . . . . 0.0 110.289 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.6 m -87.62 176.42 7.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.751 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -71.14 101.85 2.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.691 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 68' ' ' CYS . 37.9 mm -75.58 95.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -130.38 -171.87 2.66 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.31 -0.859 . . . . 0.0 108.995 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -56.52 -33.72 66.33 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 122.61 0.364 . . . . 0.0 111.721 -176.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.4 p -89.01 -25.78 21.81 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -115.24 -0.11 13.34 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -170.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -66.84 -31.07 71.45 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -176.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -95.82 -11.28 27.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.604 0.24 . . . . 0.0 111.275 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.407 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 81.9 mtt180 -84.65 -37.18 21.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.581 -174.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.4 m -113.99 93.39 29.62 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.788 0.327 . . . . 0.0 111.27 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 20.3 Cg_exo -66.05 -44.23 7.73 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.604 2.202 . . . . 0.0 111.757 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.723 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 32.1 t80 -64.83 -46.46 81.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.953 0.406 . . . . 0.0 110.586 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.537 ' HB2' HD11 ' A' ' 57' ' ' ILE . 55.9 m -61.08 -36.0 78.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.749 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -74.93 -37.25 62.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.514 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -58.28 -53.91 52.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.161 0.505 . . . . 0.0 109.696 174.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.96 -34.3 71.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.365 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.512 ' O ' ' HB ' ' A' ' 75' ' ' THR . 0.0 OUTLIER -65.72 -37.5 86.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 178.477 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 84.8 m -60.06 -50.5 73.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.66 -38.64 85.53 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.93 175.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 53.7 m -51.99 -52.33 51.25 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.834 178.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.4 m -75.79 -28.92 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.092 -171.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.13 10.26 1.16 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 119.973 -1.108 . . . . 0.0 113.434 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 75.7 mtp -81.81 109.19 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -89.18 147.05 24.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.376 -169.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 mt -71.64 -37.29 70.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.727 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HB2' ' HZ1' ' A' ' 94' ' ' LYS . 10.6 pt-20 -77.28 2.74 14.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.985 178.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.34 4.26 41.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.314 0.578 . . . . 0.0 109.622 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.695 HG11 HG21 ' A' ' 41' ' ' VAL . 90.7 t -90.11 114.5 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.97 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.486 ' HD3' ' HA ' ' A' ' 88' ' ' MET . 32.6 ttm180 -84.63 86.36 7.32 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.937 170.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.18 -2.02 57.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.098 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.91 -71.26 0.48 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.43 141.6 0.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.943 175.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.486 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . 10.8 tpt -66.92 91.84 0.21 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.052 0.453 . . . . 0.0 109.926 174.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -146.17 -46.03 0.2 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.042 -175.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -92.6 -178.6 40.99 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.635 -175.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.91 157.25 43.21 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.445 -0.407 . . . . 0.0 112.819 -176.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.4 mtp180 -88.0 87.91 7.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.88 0.371 . . . . 0.0 110.342 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -86.46 -49.05 7.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.526 ' HZ3' ' HB3' ' A' ' 94' ' ' LYS . 7.6 mtpm? -57.51 -65.37 0.64 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.32 -174.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -97.66 51.69 1.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.321 0.582 . . . . 0.0 110.578 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.98 -73.39 1.19 Allowed Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.121 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.407 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 47.1 Cg_exo -58.08 -56.26 1.74 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.489 2.792 . . . . 0.0 113.384 -177.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 23.6 ptm -57.84 -31.75 66.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.901 0.381 . . . . 0.0 110.887 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -72.83 -51.35 19.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.835 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 97' ' ' PRO . 19.7 ptpt -59.63 -40.94 89.26 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.559 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.7 -56.66 10.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.91 -42.73 90.35 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.013 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.637 179.895 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 CA--C 1.517 -0.311 0 CA-C-O 121.286 0.565 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' HG22 ' A' ' 20' ' ' VAL . 31.2 mt-10 -105.32 149.9 25.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.306 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 17' ' ' GLY . 5.7 mp -111.5 159.89 17.66 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.427 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.454 ' HB2' ' H ' ' A' ' 17' ' ' GLY . 75.2 m -62.99 131.37 94.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.812 -175.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -70.08 -4.6 14.58 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.959 2.439 . . . . 0.0 112.386 176.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.685 HG13 ' H ' ' A' ' 16' ' ' CYS . 2.0 p -104.04 -74.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.624 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.685 ' H ' HG13 ' A' ' 15' ' ' VAL . 25.0 p -80.15 -53.54 6.59 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.538 -176.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.485 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 126.19 -1.02 7.7 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.238 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.446 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 21.4 m-20 -75.02 155.1 37.66 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.323 0.561 . . . . 0.0 109.88 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -63.81 136.79 57.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.303 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 11' ' ' GLU . 27.0 m -72.94 148.0 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.881 -173.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.6 t -108.29 -0.27 20.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.096 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' LEU . . . 135.34 -165.51 24.69 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.291 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -80.95 111.78 17.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.493 0.187 . . . . 0.0 110.575 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.74 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 38.1 m-70 -133.22 115.55 15.13 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.705 177.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CE1' HG22 ' A' ' 83' ' ' VAL . 59.5 m-85 71.42 1.19 3.75 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.867 0.729 . . . . 0.0 112.733 168.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.15 -60.11 0.19 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.987 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.47 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -146.95 -165.22 2.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.776 0.322 . . . . 0.0 111.14 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' HB3' HG11 ' A' ' 20' ' ' VAL . 31.5 mt -58.08 112.08 1.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.685 178.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.74 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 15.9 p -138.55 161.57 36.73 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.401 177.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 32.0 p -90.25 171.56 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 27.2 mm-40 -70.54 -18.81 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.127 178.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.491 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 19.9 t -69.5 -44.76 70.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.4 m -61.5 -51.56 68.15 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.214 0.53 . . . . 0.0 109.618 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 30.8 tttm -59.06 -46.24 88.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.673 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 39' ' ' ARG . . . -62.87 -48.73 78.53 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.346 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -64.19 -37.05 86.08 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.43 -45.04 94.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.263 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 42' ' ' GLN . 6.4 mtmp? -62.37 -45.16 94.4 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.226 176.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 96.1 mtt-85 -59.4 -34.03 71.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -178.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.7 m -78.63 -57.72 3.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.268 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.8 t -67.54 -46.69 82.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -173.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 39.6 mt-30 -67.38 -32.04 72.69 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -91.99 0.46 57.47 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.783 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 54.0 45.13 28.26 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.606 0.566 . . . . 0.0 110.73 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -77.59 155.93 31.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.71 -175.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -134.68 146.43 49.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.86 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -132.18 168.2 18.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.611 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.8 m -154.91 122.86 5.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.39 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.727 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 50.2 t -99.01 138.27 36.35 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.1 m -95.09 -13.61 24.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.125 0.488 . . . . 0.0 110.875 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.578 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 8.5 mm-40 -78.96 -81.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.58 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 54' ' ' SER . 9.3 t -142.96 16.73 1.94 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 -176.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.727 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 46.5 mt-30 70.37 -33.78 0.27 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.345 0.658 . . . . 0.0 111.94 -178.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 52' ' ' SER . 25.2 m -129.85 89.0 2.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.385 0.612 . . . . 0.0 109.765 175.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 51' ' ' GLU . 50.0 m -89.3 -175.36 4.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.796 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -63.85 141.2 58.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.932 175.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.8 mm -105.96 122.32 59.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.092 0.472 . . . . 0.0 109.96 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.562 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 24.1 t70 -150.78 179.57 8.1 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -174.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -58.25 -41.25 83.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.28 0.363 . . . . 0.0 111.096 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.1 t -88.6 -36.5 16.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.112 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.562 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 30.7 mm-40 -64.29 -31.26 72.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.828 -175.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.483 ' HB2' ' HD2' ' A' ' 69' ' ' ARG . 37.4 ptt180 -68.63 -14.83 63.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.376 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -95.76 -41.66 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.061 0.458 . . . . 0.0 109.918 174.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.494 ' HD2' ' NE2' ' A' ' 61' ' ' GLN . 61.5 mtt180 -65.71 -42.73 90.77 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.078 -178.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.611 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.9 m -120.38 81.07 30.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.982 178.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.45 -26.79 47.34 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.382 2.055 . . . . 0.0 111.249 176.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -65.2 -50.41 66.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.068 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.611 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 34.7 m -60.79 -41.25 95.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.207 0.527 . . . . 0.0 110.246 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HD2' ' HB2' ' A' ' 62' ' ' ARG . 74.4 ttt180 -60.85 -52.67 64.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.66 177.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -60.06 -45.91 91.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.956 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -56.72 -43.53 80.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.192 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.674 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 34.4 ttmt -72.08 -27.45 62.67 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.999 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.5 m -56.9 -51.06 70.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.82 -31.61 72.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.674 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 35.5 m -58.88 -48.32 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.861 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.53 -23.76 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.573 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.67 7.29 2.14 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.073 -1.06 . . . . 0.0 113.901 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.513 ' SD ' HG21 ' A' ' 29' ' ' THR . 85.1 mtp -75.69 135.89 40.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.397 0.599 . . . . 0.0 110.147 177.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -118.05 149.32 41.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.291 -176.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.6 mt -75.57 -30.68 59.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.416 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -56.79 -25.61 55.96 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.951 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.54 -25.95 62.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.069 0.462 . . . . 0.0 110.717 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.447 HG22 ' CE1' ' A' ' 25' ' ' TYR . 46.0 t -78.84 106.56 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.373 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.445 ' HE ' ' HA2' ' A' ' 91' ' ' GLY . 79.9 mtt-85 -86.27 82.23 8.09 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.29 -4.97 6.05 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -170.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.5 -89.87 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -163.12 27.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 17.0 mmt -89.43 114.7 26.2 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.324 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 89' ' ' ARG . 26.7 mtp180 -91.18 36.58 0.92 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.342 -170.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -162.87 104.87 0.24 Allowed Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.067 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.445 ' HA2' ' HE ' ' A' ' 84' ' ' ARG . . . -97.15 39.25 2.83 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.942 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 92' ' ' ARG . 37.9 mtp180 -86.0 178.15 7.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.6 -0.353 . . . . 0.0 110.746 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.4 t30 72.01 -52.56 0.7 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.017 0.927 . . . . 0.0 111.917 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -55.47 -48.98 73.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.931 0.396 . . . . 0.0 110.63 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.536 ' O ' ' HG2' ' A' ' 98' ' ' MET . 90.2 m-85 -117.72 13.77 14.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.319 0.581 . . . . 0.0 109.778 174.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.87 -47.85 58.44 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.287 -0.869 . . . . 0.0 114.097 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -51.62 -43.46 50.51 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.802 2.335 . . . . 0.0 113.482 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 28.5 ptm -73.86 -30.17 62.51 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.742 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -67.56 -47.8 68.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.964 0.411 . . . . 0.0 110.69 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.33 -31.44 67.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.001 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -67.5 -46.06 74.03 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.188 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.11 -38.73 92.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.204 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.5 tpp85 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.246 175.225 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' HG22 ' A' ' 20' ' ' VAL . 42.4 mt-10 -142.69 149.43 38.83 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.075 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.0 mp -121.0 155.87 33.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.901 -176.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.6 m -60.69 139.26 93.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.0 2.66 5.23 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.705 2.27 . . . . 0.0 112.568 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.696 HG13 ' H ' ' A' ' 16' ' ' CYS . 1.5 p -113.17 -76.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.468 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.696 ' H ' HG13 ' A' ' 15' ' ' VAL . 31.7 p -78.38 -31.67 48.53 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.559 -175.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 89.02 38.08 6.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.914 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.627 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 59.8 m-20 -110.34 157.58 19.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 117.022 0.411 . . . . 0.0 110.65 176.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 8.6 mmmt -51.69 120.04 4.82 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.756 0.66 . . . . 0.0 111.397 176.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 11' ' ' GLU . 3.8 m -62.61 135.85 26.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.869 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.5 t -98.95 -33.99 10.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.669 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.63 -170.56 38.22 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.769 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -77.32 108.78 10.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.732 0.301 . . . . 0.0 110.687 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.572 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 43.1 m-70 -132.77 122.3 24.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.739 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' HE1' ' HB ' ' A' ' 83' ' ' VAL . 92.4 m-85 69.78 -8.61 0.77 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.859 0.864 . . . . 0.0 113.235 169.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.1 -43.18 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.022 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -160.12 -168.31 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.722 0.261 . . . . 0.0 110.549 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.47 108.58 0.65 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.733 0.645 . . . . 0.0 111.266 174.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.572 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 7.1 p -136.58 164.18 28.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.961 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 18' ' ' ASP . 21.2 p -93.21 176.68 6.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.267 178.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -72.41 -19.8 61.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.485 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 1.2 m -60.54 -47.75 84.79 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.093 174.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.3 m -64.8 -53.13 51.77 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.713 176.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.438 ' HG3' ' HE2' ' A' ' 25' ' ' TYR . 26.4 tttm -52.09 -48.73 64.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.113 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.77 -48.26 62.55 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.911 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -64.09 -40.36 96.06 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.018 0.437 . . . . 0.0 110.645 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 41' ' ' VAL . 23.9 t80 -57.94 -50.25 74.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.005 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -61.25 -44.17 97.68 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.729 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 75.1 mtp180 -58.95 -33.03 70.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 110.659 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.43 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 26.6 m -73.78 -60.72 2.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.972 178.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.718 HG21 HG21 ' A' ' 83' ' ' VAL . 15.7 m -63.71 -48.69 85.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -173.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.786 ' HG2' ' HA ' ' A' ' 85' ' ' ALA . 68.3 mt-30 -73.04 -33.71 65.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.408 . . . . 0.0 112.019 -172.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -84.19 2.48 39.54 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.007 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 58.26 42.58 21.56 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.536 0.684 . . . . 0.0 110.324 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 96.3 mttt -93.96 145.54 24.56 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.151 -176.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -137.26 130.11 30.39 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -105.48 176.59 5.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.861 0.362 . . . . 0.0 110.623 -175.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -137.25 -177.6 4.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.016 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 53' ' ' GLN . 52.7 t -122.87 156.63 34.23 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.151 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.412 HG23 ' HG3' ' A' ' 51' ' ' GLU . 14.7 t -109.58 3.65 21.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.229 0.538 . . . . 0.0 110.249 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.685 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 37.5 mt-10 -128.61 -145.45 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.026 -177.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 m -84.39 19.52 1.89 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 55.8 mt-30 74.09 -51.35 0.69 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.489 0.715 . . . . 0.0 112.143 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 p -88.06 70.19 9.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.743 0.782 . . . . 0.0 110.104 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.685 ' SG ' ' HB2' ' A' ' 51' ' ' GLU . 53.5 m -84.13 -176.65 6.36 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.719 -177.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 73.0 mmtt -91.78 116.22 28.71 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.972 174.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.59 103.23 9.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.429 0.633 . . . . 0.0 109.859 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.618 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -119.23 176.71 5.19 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.223 -179.223 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -62.98 -37.4 86.99 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.993 0.425 . . . . 0.0 110.814 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.4 t -88.94 -35.08 16.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.618 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 82.7 mm-40 -70.94 -24.3 62.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.693 0.282 . . . . 0.0 111.56 -175.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -70.25 -15.67 62.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -176.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -96.01 -11.43 26.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.831 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HD2' ' OE1' ' A' ' 61' ' ' GLN . 73.0 mtt180 -91.46 -43.29 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.278 0.561 . . . . 0.0 110.013 -177.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.681 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 65.5 m -116.15 84.05 13.39 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.205 175.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.99 -33.72 50.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.662 2.241 . . . . 0.0 111.611 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -64.38 -46.54 82.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.517 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 32.9 m -61.18 -38.85 87.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.188 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -62.3 -51.99 65.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.133 176.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 73' ' ' CYS . 84.3 t80 -59.72 -49.91 75.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.053 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.43 ' C ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER -63.43 -31.33 72.46 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.897 -176.171 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.537 ' O ' ' HB ' ' A' ' 75' ' ' THR . 39.2 ttmt -74.3 -27.97 60.96 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.577 175.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 83.3 m -57.94 -43.61 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.501 ' HA ' ' O ' ' A' ' 78' ' ' MET . 6.9 mp -66.84 -36.53 82.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.439 . . . . 0.0 110.272 174.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 28.3 m -55.42 -48.32 74.58 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.758 176.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.74 -17.98 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.71 -1.54 3.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 119.972 -1.109 . . . . 0.0 114.161 173.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 86.2 mtp -75.31 120.86 21.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.547 0.674 . . . . 0.0 110.389 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -109.54 158.0 18.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.117 0.484 . . . . 0.0 111.896 -175.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 74' ' ' LEU . 2.3 mm? -76.34 -21.1 56.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.324 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -70.62 -21.94 62.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.881 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.95 0.46 44.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.233 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.718 HG21 HG21 ' A' ' 41' ' ' VAL . 6.1 p -129.67 139.17 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.042 0.449 . . . . 0.0 110.284 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -122.79 135.32 54.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.572 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.786 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . . . -85.6 -22.73 27.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.301 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 61.5 m-20 -66.04 -88.04 0.01 OUTLIER 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.903 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 1.6 tpp180 175.86 99.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.984 174.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -150.34 107.87 3.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.0 mtm180 -108.78 26.47 10.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.765 -174.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.64 -23.85 77.19 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.467 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 78.04 -73.71 2.11 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.559 175.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -67.22 108.87 2.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.338 0.589 . . . . 0.0 111.061 -175.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -137.19 -141.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.485 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -48.53 -44.23 36.13 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -175.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.479 ' O ' ' HG2' ' A' ' 98' ' ' MET . 67.4 m-85 -91.8 5.49 49.68 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.607 -174.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.95 -51.78 38.42 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.222 -0.513 . . . . 0.0 113.23 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.52 -43.4 55.08 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.979 2.453 . . . . 0.0 113.643 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 25.1 ptm -71.86 -31.44 66.48 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.972 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -64.32 -53.3 50.96 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.808 0.337 . . . . 0.0 110.257 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -67.11 -32.46 73.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.46 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 101' ' ' ARG . 15.0 ttm180 -67.73 -53.82 24.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.325 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.05 -35.38 76.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.842 0.353 . . . . 0.0 110.188 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.631 178.425 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.318 0.58 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.57 133.48 48.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.964 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -131.19 154.51 48.32 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.323 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.43 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 35.5 t -68.21 115.93 34.11 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.712 175.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.6 -6.02 15.63 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.7 2.267 . . . . 0.0 112.533 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.489 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 84.6 t -80.07 -66.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.635 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 p -110.11 -22.39 11.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -170.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.74 11.94 42.23 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.889 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -77.67 167.08 22.16 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.757 0.278 . . . . 0.0 110.444 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -70.9 140.89 51.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.088 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 28' ' ' LEU . 27.0 m -68.68 147.19 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.323 0.582 . . . . 0.0 111.776 -177.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -113.3 15.65 19.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.458 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.11 -174.85 21.71 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.353 -0.839 . . . . 0.0 112.243 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -80.37 121.31 25.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -142.27 -64.89 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.982 0.42 . . . . 0.0 110.915 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.645 ' CE1' ' HG3' ' A' ' 34' ' ' LYS . 38.3 m-85 -100.29 71.61 1.58 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.134 0.492 . . . . 0.0 110.85 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.441 ' HA2' ' HE1' ' A' ' 98' ' ' MET . . . 86.4 -26.43 6.36 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.534 -0.757 . . . . 0.0 113.525 174.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD21 HG23 ' A' ' 76' ' ' VAL . 1.9 pt? -164.99 -161.69 0.57 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.976 0.388 . . . . 0.0 110.508 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' HB3' ' CG1' ' A' ' 20' ' ' VAL . 3.2 mm? -59.71 107.41 0.6 Allowed 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.73 174.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.583 HG21 ' HB2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -132.17 150.96 52.03 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.181 -175.148 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.6 p -104.58 155.18 19.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.85 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.596 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 16.7 tp10 -63.59 -22.39 66.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.202 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.1 p -68.89 -45.02 72.02 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.161 -0.337 . . . . 0.0 110.749 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.0 m -74.57 -35.5 63.05 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.195 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.645 ' HG3' ' CE1' ' A' ' 25' ' ' TYR . 60.4 tttt -57.3 -49.27 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.079 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.537 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -60.88 -48.57 85.61 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.161 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.16 -42.24 90.29 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 111.035 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.417 ' O ' HG23 ' A' ' 41' ' ' VAL . 13.0 t80 -62.15 -48.31 80.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.702 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 34' ' ' LYS . 17.9 mtpt -54.5 -48.9 71.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.963 175.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 18.7 mmm180 -56.16 -47.53 78.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.294 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.7 m -73.81 -55.51 6.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.944 -174.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 37' ' ' PHE . 21.9 t -68.04 -42.81 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -171.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.483 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 13.1 mm-40 -67.59 -35.73 79.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.977 0.418 . . . . 0.0 111.718 -175.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -88.65 11.13 18.29 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.098 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 p30 45.26 43.03 7.75 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 124.27 0.981 . . . . 0.0 110.182 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -87.61 158.61 18.83 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.192 -1.367 . . . . 0.0 111.771 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -145.14 118.04 8.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.308 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -90.56 173.15 8.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.965 0.412 . . . . 0.0 111.155 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.8 m -132.12 122.21 25.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.396 -178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.0 t -97.25 114.95 26.75 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 p -76.62 -8.85 58.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -88.4 -150.84 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.076 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.3 p -83.55 5.02 25.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.88 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 71.51 -48.27 0.67 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.549 0.74 . . . . 0.0 111.978 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -81.59 61.53 5.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.341 0.591 . . . . 0.0 110.138 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.7 m -89.69 167.29 13.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.977 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -89.61 127.42 35.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.045 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.1 mm -87.26 90.97 3.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.477 0.656 . . . . 0.0 109.775 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.528 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 15.5 t70 -102.2 178.95 4.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.352 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -58.78 -39.29 80.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.0 0.429 . . . . 0.0 110.644 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -89.65 -43.59 10.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.899 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.528 ' HG3' ' HB3' ' A' ' 58' ' ' ASP . 33.9 mt-30 -69.88 -15.97 63.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.241 -170.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -69.97 -10.18 57.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -95.25 -41.17 9.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 111.247 177.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -70.41 -31.55 68.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.299 -174.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.689 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 91.6 m -118.06 83.55 19.67 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.421 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.98 -38.0 13.92 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.25 1.967 . . . . 0.0 111.594 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -61.05 -39.4 89.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.242 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.689 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 49.3 m -70.33 -35.88 73.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.469 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -65.01 -38.85 92.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -58.62 -49.46 77.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.962 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.839 ' HA ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER -58.89 -42.42 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.523 177.047 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.489 ' HG3' ' HA ' ' A' ' 15' ' ' VAL . 19.7 tptm -59.25 -38.68 80.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.92 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.02 -56.15 24.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.283 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 78' ' ' MET . 8.8 mp -61.22 -24.37 66.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.55 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.8 m -66.3 -51.83 53.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.816 0.341 . . . . 0.0 111.352 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 HD21 ' A' ' 27' ' ' LEU . 26.0 m -72.14 -22.8 21.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.834 -172.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.42 0.46 2.37 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.125 -1.035 . . . . 0.0 113.23 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.511 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 74.8 mtp -74.59 111.53 9.88 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -96.88 163.03 13.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.8 mt -75.95 -36.6 59.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.93 -174.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -68.86 -7.1 31.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.716 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HA ' ' CE1' ' A' ' 95' ' ' PHE . . . -71.35 -19.24 62.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.112 0.482 . . . . 0.0 110.43 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -96.64 146.18 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.475 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 4.3 mmp_? -92.32 99.86 12.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.158 -0.339 . . . . 0.0 110.794 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.81 -11.67 29.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.23 0.538 . . . . 0.0 110.805 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.74 -9.28 56.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.854 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 68.3 16.89 9.3 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.765 0.793 . . . . 0.0 109.0 -175.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.9 tpt -94.08 118.23 31.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.881 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -67.63 -19.04 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.394 -177.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.32 61.2 4.21 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.195 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.63 32.32 6.13 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.217 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 93' ' ' ASN . 24.2 ttt85 -96.51 98.18 10.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.74 -0.23 . . . . 0.0 111.083 -176.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 92' ' ' ARG . 67.3 t30 176.94 -60.3 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.749 0.309 . . . . 0.0 111.552 174.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -52.3 -49.7 63.65 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.445 ' O ' ' HG3' ' A' ' 98' ' ' MET . 34.9 m-85 -95.37 11.55 32.32 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -173.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.92 -64.88 3.89 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.016 -0.611 . . . . 0.0 113.393 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.84 -39.28 83.0 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.929 2.42 . . . . 0.0 113.265 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.445 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 3.9 ppp? -64.33 -27.87 69.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.478 -176.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -51.94 -55.38 20.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.82 0.819 . . . . 0.0 110.497 173.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -67.4 -34.33 77.03 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.566 -178.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -63.16 -50.15 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.156 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.57 -42.57 92.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.816 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.378 176.858 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.527 0.68 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -102.53 150.64 23.19 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.16 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 12' ' ' LEU . 7.2 mp -100.01 141.17 33.19 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.988 0.423 . . . . 0.0 110.843 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.36 122.85 52.28 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.18 -10.91 30.27 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.21 2.606 . . . . 0.0 112.671 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.405 HG11 ' SG ' ' A' ' 73' ' ' CYS . 60.9 t -80.3 -33.36 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.254 177.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 p -139.16 -85.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.553 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.87 46.0 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.968 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -116.6 150.84 37.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -55.85 126.81 27.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.146 0.498 . . . . 0.0 109.916 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.653 HG11 ' HB3' ' A' ' 28' ' ' LEU . 35.3 m -64.35 147.98 12.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.281 -173.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.6 m -98.09 20.51 12.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.437 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.87 178.54 15.99 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.494 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -92.64 107.78 19.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.028 0.442 . . . . 0.0 110.182 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 5.8 p80 -154.56 149.62 26.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.476 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.456 ' CE1' ' HG3' ' A' ' 34' ' ' LYS . 63.9 m-85 70.11 15.28 7.66 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.795 0.684 . . . . 0.0 110.174 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.68 17.67 63.31 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.5 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.8 mt -155.18 162.05 41.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.239 0.542 . . . . 0.0 112.114 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.653 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.3 mm? -80.37 102.29 9.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 168.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.2 p -129.08 148.81 51.06 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 120.948 0.404 . . . . 0.0 111.129 -173.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.6 p -87.78 161.5 17.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.559 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -58.71 -32.32 69.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.856 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 m -57.03 -48.48 78.42 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.5 m -72.11 -38.73 69.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 25' ' ' TYR . 27.7 ttpt -59.6 -43.44 93.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 0.0 110.284 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.33 -50.82 62.78 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.418 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -65.42 -40.28 93.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.574 0.226 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 41' ' ' VAL . 22.2 t80 -58.38 -46.49 86.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.88 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -56.24 -58.15 9.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.564 176.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -56.86 -29.9 63.33 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 m -82.17 -55.99 4.2 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.488 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 37' ' ' PHE . 35.9 t -68.54 -37.6 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.485 -173.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.73 ' HG2' ' HA ' ' A' ' 85' ' ' ALA . 98.1 mt-30 -62.11 -21.63 65.15 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.665 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 50.3 m-80 -113.06 1.81 15.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.919 0.39 . . . . 0.0 110.145 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.462 HD22 ' N ' ' A' ' 44' ' ' ASN . 0.9 OUTLIER 60.05 35.25 21.38 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.89 179.31 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.665 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 87.2 mttt -73.67 120.84 19.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.276 -173.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -109.49 97.36 6.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.416 172.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.602 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 60.9 m-85 -72.62 174.28 7.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.473 -178.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.3 m -135.62 129.78 33.38 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.529 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.877 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 48.5 t -97.99 165.13 12.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.7 p -70.17 -64.31 0.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 0.0 112.235 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -86.33 -138.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.494 -174.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.3 m -66.59 0.05 2.52 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.91 0.484 . . . . 0.0 111.603 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.877 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 40.1 mt-30 68.7 8.57 6.82 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.012 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -108.52 78.59 1.17 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 40.1 m -103.5 174.01 6.05 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.751 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 56' ' ' LYS . 33.9 mtmm -84.08 142.01 30.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.793 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.5 mm -106.37 98.02 6.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.136 0.493 . . . . 0.0 110.539 -177.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -128.06 178.96 5.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.848 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 26.7 ttpp -53.71 -34.76 59.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.556 0.535 . . . . 0.0 112.425 -174.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 p -89.03 -50.1 6.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.108 0.411 . . . . 0.0 112.108 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.553 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 22.6 mt-30 -72.77 -16.2 61.64 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -171.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.553 ' O ' ' HD2' ' A' ' 69' ' ' ARG . 37.9 ptt180 -71.42 -5.47 33.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 111.075 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -95.44 -45.8 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.098 0.475 . . . . 0.0 110.344 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.553 ' HG2' ' HA ' ' A' ' 61' ' ' GLN . 9.1 ptm180 -75.63 -27.37 58.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.418 -176.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.5 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 93.1 m -114.86 81.12 7.13 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.296 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.49 -33.44 22.71 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.225 1.95 . . . . 0.0 111.443 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.602 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 80.2 t80 -64.19 -51.27 64.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.335 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 32.6 m -60.61 -40.89 93.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.236 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.553 ' HD2' ' O ' ' A' ' 62' ' ' ARG . 59.2 ttt180 -60.77 -46.87 88.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.791 178.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.24 -50.79 71.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.572 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 67' ' ' PHE . 16.5 mm100 -59.57 -39.57 84.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -54.87 -46.42 74.74 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.296 0.238 . . . . 0.0 110.99 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.405 ' SG ' HG11 ' A' ' 15' ' ' VAL . 63.2 m -55.22 -50.09 70.31 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.57 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.499 HD21 HD21 ' A' ' 80' ' ' LEU . 8.4 mp -67.78 -32.42 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.379 . . . . 0.0 112.008 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.3 m -63.31 -44.09 95.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 0.0 111.303 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.2 m -74.94 -22.83 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.065 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.43 33.04 1.15 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.367 -0.92 . . . . 0.0 114.142 171.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.4 mtp -78.25 118.06 20.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.444 0.622 . . . . 0.0 109.617 174.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -73.37 120.01 18.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.252 -174.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.499 HD21 HD21 ' A' ' 74' ' ' LEU . 68.3 mt -59.65 -38.95 82.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.813 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.484 ' HG3' ' HZ ' ' A' ' 95' ' ' PHE . 10.3 pt-20 -76.33 6.87 4.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.927 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.05 2.72 46.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.048 0.451 . . . . 0.0 110.513 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.431 HG11 ' CG1' ' A' ' 41' ' ' VAL . 3.5 p -99.11 147.59 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.548 178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 84' ' ' ARG . 5.2 tpt180 -113.68 111.25 21.5 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.721 -0.391 . . . . 0.0 109.972 176.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.73 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . . . -85.73 -18.71 32.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.345 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 5.1 m-20 -57.27 -78.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.055 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 15.8 tpp85 169.49 -31.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.672 -176.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 92.6 mmm -52.88 126.12 19.24 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.382 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -96.64 3.79 52.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.899 -177.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -127.85 127.69 5.84 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.276 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.45 45.72 0.19 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.21 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -88.74 86.73 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.999 0.428 . . . . 0.0 110.526 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -157.89 -52.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.691 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -56.51 -46.59 80.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.987 0.423 . . . . 0.0 111.733 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.484 ' HZ ' ' HG3' ' A' ' 81' ' ' GLU . 94.0 m-85 -91.66 8.48 36.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.666 -178.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.536 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -53.61 -53.87 33.41 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-O 119.525 -0.597 . . . . 0.0 113.633 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 10.0 Cg_endo -52.42 -46.73 31.11 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.068 2.512 . . . . 0.0 113.203 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.455 ' SD ' ' HD2' ' A' ' 95' ' ' PHE . 26.9 ptm -71.6 -35.2 70.42 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.547 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.428 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 7.8 m-85 -63.32 -54.38 38.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.026 0.441 . . . . 0.0 110.644 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -58.58 -52.23 66.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.763 -177.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -62.14 -51.07 69.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.532 -176.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.05 -45.89 91.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.618 0.247 . . . . 0.0 111.123 -175.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 99' ' ' TYR . 60.6 mtm180 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.958 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.654 0.264 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -106.02 148.21 27.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.257 0.551 . . . . 0.0 110.72 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.8 mt -111.74 153.07 27.04 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.116 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.479 ' HB2' ' H ' ' A' ' 17' ' ' GLY . 38.2 m -66.03 137.25 95.79 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.344 178.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -67.27 -13.19 38.63 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.535 2.157 . . . . 0.0 112.439 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.619 ' HB ' ' HG3' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -104.03 -81.88 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.627 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.568 ' N ' HG22 ' A' ' 15' ' ' VAL . 30.6 p -69.65 -31.82 70.12 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -175.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.479 ' H ' ' HB2' ' A' ' 13' ' ' CYS . . . 93.45 14.44 53.53 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.314 177.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.497 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 67.5 m-20 -83.76 164.55 19.51 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 117.205 0.502 . . . . 0.0 111.106 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 13.1 mptt -65.22 127.9 33.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.979 176.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.424 HG11 ' HB3' ' A' ' 28' ' ' LEU . 21.3 m -76.35 136.8 23.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.249 0.547 . . . . 0.0 111.883 -174.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.6 p -90.61 -12.45 36.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.044 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.13 -165.04 28.61 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.438 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.609 ' HB3' ' HD1' ' A' ' 99' ' ' TYR . 20.1 m-85 -72.38 112.6 8.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.007 0.432 . . . . 0.0 111.188 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.656 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 49.6 m-70 -134.25 125.99 28.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.53 ' HD1' ' HB3' ' A' ' 82' ' ' ALA . 83.6 m-85 64.33 21.36 12.48 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.599 0.562 . . . . 0.0 111.928 173.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 101.43 0.22 53.52 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.165 -0.541 . . . . 0.0 113.119 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.3 mt -139.25 158.7 43.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -176.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.4 mm? -70.61 106.24 3.42 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 167.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.656 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 19.0 p -139.1 164.92 28.51 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.704 -176.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.626 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 26.7 p -95.52 177.19 5.9 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.583 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.532 ' HG3' ' H5 ' ' C' ' 22' ' ' ' DC' . 44.1 mm-40 -70.01 -20.78 63.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.541 176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.707 ' HB2' " H3'" ' C' ' 20' ' ' ' DG' . 22.7 t -66.08 -45.54 80.88 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 175.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.2 m -63.78 -52.67 59.22 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.467 ' HE2' ' N7 ' ' B' ' 8' ' ' ' DG' . 29.7 tttm -54.11 -51.91 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.764 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.89 -48.8 67.57 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.129 -0.558 . . . . 0.0 112.909 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -66.74 -37.89 85.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.593 0.235 . . . . 0.0 110.892 -177.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 41' ' ' VAL . 6.2 t80 -60.88 -47.13 87.8 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.839 ' HZ2' H2'' ' B' ' 8' ' ' ' DG' . 20.5 mtmt -61.38 -48.88 79.24 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.9 176.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.74 ' CZ ' ' H71' ' C' ' 19' ' ' ' DT' . 94.4 mtt-85 -55.91 -33.7 64.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.339 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.8 m -78.79 -57.97 3.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.232 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.66 ' HB ' HG11 ' A' ' 83' ' ' VAL . 21.9 t -70.58 -44.12 77.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -172.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -65.68 -43.31 89.62 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 111.471 -175.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -82.2 6.87 15.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.088 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 58.02 41.43 24.21 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.453 178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -78.43 142.8 37.28 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.523 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -143.52 128.04 18.0 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.555 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -123.57 176.05 6.43 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.357 -177.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -153.05 134.37 14.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.003 177.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 16.6 t -92.86 136.78 32.94 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.4 m -60.54 -52.11 66.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 0.0 110.854 -176.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -131.89 156.92 45.25 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 p 46.81 86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.992 0.808 . . . . 0.0 111.798 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.63 -21.74 63.05 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.645 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.4 m -118.94 81.8 1.76 Allowed 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.831 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.9 179.42 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.036 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' NZ ' ' HB3' ' A' ' 56' ' ' LYS . 5.0 mmmp? -75.91 105.39 6.93 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.0 mm -77.86 95.0 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.366 0.603 . . . . 0.0 109.728 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -116.94 -175.89 2.87 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.535 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -34.23 77.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.731 0.301 . . . . 0.0 111.401 -175.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.9 p -88.82 -48.03 7.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.123 0.487 . . . . 0.0 111.511 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.549 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 90.4 mt-30 -73.89 -7.62 53.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -172.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.472 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 38.6 ptt180 -75.9 -11.7 60.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.947 0.404 . . . . 0.0 110.322 176.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.898 ' HE3' " H4'" ' C' ' 19' ' ' ' DT' . 13.6 mmmm -92.83 -31.57 14.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.53 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.549 ' HG2' ' HA ' ' A' ' 61' ' ' GLN . 12.7 ptm180 -79.06 -34.04 44.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.701 0.286 . . . . 0.0 111.708 -175.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.572 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 92.0 m -116.49 92.9 38.55 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-O 120.723 0.297 . . . . 0.0 111.634 -178.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -66.63 -39.02 16.8 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.636 2.224 . . . . 0.0 111.445 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.8 -47.04 86.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.677 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 37.6 m -64.1 -35.5 80.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.482 -179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -68.0 -41.88 81.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.213 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -60.83 -50.76 72.12 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.26 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -57.96 -39.82 79.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.614 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.619 ' HG3' ' HB ' ' A' ' 15' ' ' VAL . 32.4 tptt -58.8 -44.56 90.78 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.465 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 69.0 m -59.09 -54.43 47.12 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.63 -40.09 93.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.335 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.8 m -63.79 -46.02 87.07 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 72' ' ' LYS . 27.2 m -69.78 -18.76 22.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.537 -176.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 123.86 15.88 3.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.419 -0.896 . . . . 0.0 114.067 172.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 86.7 mtp -75.04 124.4 26.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.419 0.609 . . . . 0.0 110.202 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.621 ' HA ' ' NE ' ' A' ' 79' ' ' ARG . 2.4 mmp_? -72.09 121.5 19.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.904 -177.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.8 tp -75.1 -29.23 60.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.927 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.73 -14.12 62.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.222 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.715 ' HB2' ' HZ ' ' A' ' 95' ' ' PHE . . . -79.77 -9.21 59.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.66 HG11 ' HB ' ' A' ' 41' ' ' VAL . 44.9 t -82.36 97.22 3.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.199 0.523 . . . . 0.0 110.389 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.855 ' HB3' H5'' ' B' ' 8' ' ' ' DG' . 21.4 tpt180 -79.05 78.01 5.51 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.264 175.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.04 -15.11 61.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.919 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.537 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 5.7 t70 -55.28 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.173 175.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.708 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 3.8 tpt180 165.82 -34.53 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.66 0.6 . . . . 0.0 110.057 -178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.569 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 11.2 tpt -52.72 114.84 1.53 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.279 -177.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.612 ' HA ' " C4'" ' B' ' 8' ' ' ' DG' . 99.4 mtt180 -67.35 -15.83 63.91 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.955 -177.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.628 ' HA3' " H5'" ' C' ' 27' ' ' ' DA' . . . -80.39 70.36 2.99 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.35 175.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.45 23.77 5.33 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.372 -0.442 . . . . 0.0 113.285 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.465 ' NH2' " H1'" ' B' ' 5' ' ' ' DC' . 86.4 mtt180 -83.22 106.13 14.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.424 0.631 . . . . 0.0 110.348 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.514 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 46.2 m-80 -95.56 -166.38 1.44 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.552 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -15.18 19.8 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -175.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.715 ' HZ ' ' HB2' ' A' ' 82' ' ' ALA . 38.9 p90 -96.71 10.77 37.72 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.718 0.294 . . . . 0.0 110.697 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.59 -47.58 44.92 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-O 119.541 -0.588 . . . . 0.0 114.065 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.608 ' HG3' ' OP1' ' C' ' 29' ' ' ' DC' . 53.2 Cg_exo -53.71 -28.21 46.03 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.729 2.286 . . . . 0.0 114.164 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.52 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 4.3 ppp? -63.24 -29.48 70.81 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 121.22 -0.192 . . . . 0.0 111.194 -173.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.633 ' CB ' H5'' ' B' ' 6' ' ' ' DA' . 74.2 m-85 -59.69 -56.75 17.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.777 0.322 . . . . 0.0 111.427 -178.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.777 ' HD3' H5'' ' C' ' 29' ' ' ' DC' . 13.9 ptmm? -73.26 -29.87 63.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.737 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 14.4 ttm180 -65.29 -54.78 24.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.076 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -60.94 -40.36 92.98 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.208 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -62.31 -42.07 99.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.37 -30.98 68.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.444 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 84.5 mt -81.57 -44.39 17.36 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.125 0.488 . . . . 0.0 110.629 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.52 -50.04 75.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.249 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -84.81 -66.55 0.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 62.62 13.5 6.36 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.316 178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 143.55 55.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.135 176.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -92.98 171.12 9.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.355 -175.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.135 178.1 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.828 H2'' ' H8 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 O5'-C5'-C4' 111.632 1.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.828 ' H8 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C4'-C3'-C2' 104.322 1.122 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 1.09 " H1'" " H5'" ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C4'-C3'-C2' 102.653 -0.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 1.09 " H5'" " H1'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 P-O3'-C3' 120.76 0.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.465 " H1'" ' NH2' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 C4'-C3'-C2' 102.423 -0.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.808 H2'' ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C4'-C3'-C2' 104.753 1.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.808 ' OP2' H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 P-O3'-C3' 122.178 2.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.855 H5'' ' HB3' ' A' ' 84' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 P-O3'-C3' 121.099 1.165 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.708 H5'' ' HD2' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 107.162 0.965 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.806 " H1'" " H5'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C4'-C3' 106.571 0.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.806 " H5'" " H1'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 107.514 1.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.829 H2'' ' C6 ' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 104.522 1.322 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.829 ' C6 ' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C4'-C3'-C2' 104.076 0.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.499 H2'' ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 102.403 -0.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.499 ' OP2' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 P-O3'-C3' 120.653 0.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.562 ' C6 ' ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.598 0 O5'-C5'-C4' 111.688 1.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.562 ' H72' ' C6 ' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-C2' 107.063 0.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.762 " C2'" ' H72' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C4'-C3'-C2' 104.666 1.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.898 " H4'" ' HE3' ' A' ' 63' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 P-O3'-C3' 120.773 0.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 1.006 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-N19 109.38 1.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 1.006 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 P-O3'-C3' 121.002 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.62 ' C5 ' H2'' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 P-O3'-C3' 120.365 0.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.497 H2'' ' OP2' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.19 0.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.513 H2'' ' OP2' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 O4'-C1'-C2' 107.128 0.935 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.529 H2'' ' H8 ' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 104.302 1.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.62 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-N19 109.368 1.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.628 " H5'" ' HA3' ' A' ' 90' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 106.912 0.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.794 H2'' ' C6 ' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C4'-C3'-C2' 104.732 1.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 0.794 ' C6 ' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C4'-C3'-C2' 104.694 1.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.67 ' C6 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C1'-O4'-C4' 110.457 0.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.962 0.41 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' H ' HG22 ' A' ' 20' ' ' VAL . 32.7 mm-40 -124.6 -177.13 3.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.776 -174.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.2 mt -97.53 145.0 26.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.103 176.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 53.7 t -76.39 120.12 80.29 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.784 -178.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.473 ' HG2' HG11 ' A' ' 76' ' ' VAL . 28.8 Cg_endo -64.55 -8.59 17.68 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.9 2.4 . . . . 0.0 112.889 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.636 HG13 ' HB3' ' A' ' 72' ' ' LYS . 82.0 t -82.92 -49.6 16.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.18 177.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 3.6 p -132.23 -14.69 2.97 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -169.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.92 -1.67 71.22 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.571 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -72.95 160.88 31.41 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.89 123.58 25.33 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 -175.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.571 HG21 HD12 ' A' ' 28' ' ' LEU . 10.6 m -75.54 139.26 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 111.035 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.5 t -93.09 5.68 50.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.163 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.02 178.83 15.47 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.091 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.542 ' HA ' ' HA ' ' A' ' 28' ' ' LEU . 88.8 m-85 -58.56 115.11 2.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.448 0.642 . . . . 0.0 111.827 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.676 ' HA ' ' OP2' ' B' ' 7' ' ' ' DG' . 12.9 m-70 -131.45 123.84 28.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.698 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.78 ' HE1' ' HG3' ' A' ' 34' ' ' LYS . 65.6 m-85 73.03 -71.6 0.13 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.125 0.57 . . . . 0.0 112.024 173.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 77' ' ' GLY . . . -129.67 -24.77 0.98 Allowed Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.123 -177.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD21 HG23 ' A' ' 76' ' ' VAL . 2.6 pt? -159.18 -176.54 5.89 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD12 HG21 ' A' ' 20' ' ' VAL . 2.3 pt? -76.95 115.08 16.43 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.749 0.785 . . . . 0.0 111.053 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.57 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 7.2 p -129.76 168.69 16.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.319 -177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 19.6 p -86.33 166.52 15.55 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.789 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -66.24 -29.69 69.99 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.093 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.471 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 50.5 m -55.27 -46.08 76.15 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.809 174.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -76.88 -43.01 37.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.898 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.78 ' HG3' ' HE1' ' A' ' 25' ' ' TYR . 33.1 ttpt -51.76 -49.96 61.59 Favored 'General case' 0 C--O 1.245 0.853 0 CA-C-O 121.359 0.6 . . . . 0.0 110.713 176.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -65.53 -52.16 41.76 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.503 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -60.42 -40.84 92.46 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.59 0.233 . . . . 0.0 111.129 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -58.16 -50.29 74.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.091 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.602 ' HG2' HG23 ' A' ' 83' ' ' VAL . 26.5 mtmm -59.14 -51.09 71.52 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.435 177.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 24.6 mmm180 -57.06 -46.93 82.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.299 -174.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.8 m -63.12 -49.95 72.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.654 HG11 ' CG1' ' A' ' 83' ' ' VAL . 44.9 t -63.75 -49.21 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.734 -178.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.64 -34.8 79.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.808 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 43' ' ' ASN . 0.8 OUTLIER -83.52 -4.71 58.78 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 -179.523 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.5 m120 59.94 27.95 17.39 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.37 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HG3' ' CB ' ' A' ' 43' ' ' ASN . 90.9 mttt -72.72 114.62 11.06 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.957 -175.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -106.42 83.88 1.94 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.793 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -68.65 163.21 24.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.308 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.4 t -130.34 179.31 5.99 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.476 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 42.8 t -159.41 156.88 29.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.1 p -101.85 154.22 19.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.725 0.298 . . . . 0.0 111.042 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 59.71 -91.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.474 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.556 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 12.3 m -67.24 -57.68 6.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.712 -172.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.476 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 72.3 mt-30 69.86 -28.23 0.17 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.361 0.665 . . . . 0.0 111.996 -177.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 52' ' ' SER . 21.7 m -105.32 43.19 1.14 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 173.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 52' ' ' SER . 61.6 m -62.51 171.59 1.91 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.529 -177.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -94.23 146.29 24.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.944 -176.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.724 HG13 ' HA ' ' A' ' 69' ' ' ARG . 50.9 mm -115.3 121.92 68.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.992 0.425 . . . . 0.0 110.4 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.539 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 7.4 m-20 -123.01 -172.01 2.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.863 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -65.7 -28.32 68.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 171.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.0 p -87.9 -49.92 6.77 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.928 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.539 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 36.5 mt-30 -79.24 8.07 6.61 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.212 -172.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.49 ' HA ' HG23 ' A' ' 57' ' ' ILE . 37.4 ptt180 -64.3 -33.3 75.51 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.663 ' HG2' H5'' ' C' ' 19' ' ' ' DT' . 84.0 mttt -97.88 -7.1 30.98 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 178.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' CD ' ' HA ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -67.44 -63.37 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -173.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.547 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.5 m -115.78 97.25 48.62 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.675 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 18.3 Cg_endo -61.38 -40.14 51.15 Favored 'Trans proline' 0 N--CA 1.463 -0.268 0 C-N-CA 122.555 2.17 . . . . 0.0 111.843 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -63.48 -46.52 85.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.482 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.718 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . 50.0 m -66.08 -30.64 71.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.683 -178.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.976 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 70.3 ttt180 -67.89 -44.75 76.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.052 175.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -64.57 -48.06 76.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.559 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.718 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -70.13 -20.71 63.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.428 -179.474 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.837 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -71.26 -39.65 71.47 Favored 'General case' 0 CA--C 1.519 -0.233 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 175.127 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.515 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 62.5 m -61.0 -38.5 86.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.672 174.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.92 -35.26 69.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 42.3 m -57.84 -43.11 85.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.628 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.473 HG11 ' HG2' ' A' ' 14' ' ' PRO . 33.6 m -80.05 -13.92 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.078 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.503 ' O ' ' HA3' ' A' ' 26' ' ' GLY . . . 105.23 26.41 6.28 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.121 -1.038 . . . . 0.0 114.308 171.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.526 ' SD ' HG21 ' A' ' 29' ' ' THR . 79.7 mtp -72.92 113.72 10.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.503 0.652 . . . . 0.0 109.464 173.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -77.56 146.99 35.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.299 -170.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -75.73 -16.47 60.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.898 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -78.74 -0.03 28.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.896 -179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 25' ' ' TYR . . . -111.74 3.23 17.62 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.481 -178.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.654 ' CG1' HG11 ' A' ' 41' ' ' VAL . 7.7 p -116.36 130.21 71.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.137 0.494 . . . . 0.0 110.333 176.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -138.42 133.41 32.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.247 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.1 2.29 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 166.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.441 ' O ' ' HB3' ' A' ' 87' ' ' ARG . 24.9 t70 -62.09 -16.07 49.73 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.269 -1.332 . . . . 0.0 112.269 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 1.0 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 5.3 tpp180 81.89 -16.08 0.65 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.447 0.699 . . . . 0.0 111.36 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 51.7 tpp -66.6 115.16 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.742 ' HB3' ' H21' ' B' ' 7' ' ' ' DG' . 64.4 mtt180 -81.29 58.57 3.63 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.077 -178.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.22 -132.65 4.75 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.869 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.937 ' H ' " H4'" ' C' ' 27' ' ' ' DA' . . . 69.13 76.41 0.47 Allowed Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.631 -0.587 . . . . 0.0 111.631 -178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.7 ' O ' H5'' ' C' ' 28' ' ' ' DG' . 23.2 ttm180 -148.89 110.83 4.58 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.975 0.417 . . . . 0.0 111.038 -174.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -104.15 -46.1 4.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.938 -177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -73.26 -16.87 61.38 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.537 ' O ' ' HG3' ' A' ' 98' ' ' MET . 83.8 m-85 -117.81 0.73 12.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.866 0.365 . . . . 0.0 110.341 174.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.435 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -58.0 -56.47 25.02 Favored Glycine 0 CA--C 1.522 0.516 0 CA-C-N 116.041 -0.527 . . . . 0.0 113.39 -177.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 42.1 Cg_endo -68.38 -29.1 32.1 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.521 2.147 . . . . 0.0 113.58 -177.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.537 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 4.9 ppp? -69.93 -29.89 67.15 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.753 -172.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.664 ' CB ' H5'' ' B' ' 6' ' ' ' DA' . 47.3 m-85 -67.63 -49.69 61.7 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.344 0.593 . . . . 0.0 109.778 173.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -61.86 -42.66 99.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.863 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.562 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 37.2 ttm180 -58.54 -54.07 51.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.047 -0.978 . . . . 0.0 110.947 179.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -62.49 -33.42 74.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.573 -175.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.466 ' HA ' ' HE2' ' A' ' 23' ' ' TYR . 24.9 tpt180 -65.28 -44.65 87.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.284 176.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.06 87.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.846 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 92.8 mt -66.53 -34.35 77.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.181 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -67.81 -28.96 68.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -99.8 9.55 42.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.789 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -95.37 121.77 37.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.97 0.414 . . . . 0.0 110.762 -176.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -92.29 -40.14 11.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.365 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -84.69 96.77 9.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.93 -176.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.596 -0.716 . . . . 0.0 109.983 177.166 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.593 ' H8 ' HO5' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.569 0 O5'-C5'-C4' 111.489 0.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.6 " H1'" " H5'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C4'-C3'-C2' 104.229 1.029 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.873 H2'' ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-N19 108.762 1.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.873 ' H72' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C1'-O4'-C4' 110.34 0.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.454 ' C6 ' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 106.734 0.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.759 " H1'" " H5'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-N19 108.146 0.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.759 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.469 1.245 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.731 ' OP2' H2'' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 P-O3'-C3' 121.535 1.529 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 1.0 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 P-O3'-C3' 120.843 0.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.832 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C4'-C3'-C2' 104.712 1.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.832 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C4'-C3'-C2' 105.276 2.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.639 H2'' ' C5 ' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C3'-C2'-C1' 101.83 -0.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.805 " H1'" " H5'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-N19 108.261 0.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.805 " H5'" " H1'" ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.482 1.256 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C4'-C3'-C2' 104.425 1.225 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.77 H2'' ' H71' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.676 0 O5'-C5'-C4' 111.523 0.945 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.77 ' H71' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C4'-C3' 106.096 0.496 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.678 H2'' ' C6 ' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C4'-C3'-C2' 104.368 1.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.976 " H3'" HH12 ' A' ' 69' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C4'-C3'-C2' 104.403 1.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.533 H2'' ' OP2' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-N19 108.45 0.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 1.006 " H1'" " H5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.659 0.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 1.006 " H5'" " H1'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 107.395 1.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.509 ' OP2' H2'' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 P-O3'-C3' 120.836 0.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.691 H2'' ' OP2' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.313 1.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.713 " H1'" " O4'" ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-C2' 107.777 1.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.713 " O4'" " H1'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-N19 109.034 1.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.937 " H4'" ' H ' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.148 0.952 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.7 H5'' ' O ' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.263 1.057 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 0.459 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C1'-N19 108.8 1.25 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.459 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C1'-O4'-C4' 110.524 0.588 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 122.092 0.948 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.515 ' HG3' ' HG ' ' A' ' 28' ' ' LEU . 5.7 mm-40 -82.09 152.35 26.62 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.506 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.7 mt -108.18 137.08 46.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.802 0.334 . . . . 0.0 110.618 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 51.3 t -63.97 118.44 45.75 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.29 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.08 -12.53 36.41 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.787 2.325 . . . . 0.0 112.268 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.442 ' HB ' ' SG ' ' A' ' 13' ' ' CYS . 84.4 t -76.65 -56.61 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.469 178.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 12.1 p -111.58 -55.57 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 111.748 -176.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 132.48 -1.93 4.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.913 -175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -73.18 153.8 40.55 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -71.76 132.71 44.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.941 0.401 . . . . 0.0 110.522 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.623 HG11 ' HB3' ' A' ' 28' ' ' LEU . 10.0 m -75.98 163.78 3.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.87 -172.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.6 t -112.88 16.24 19.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.541 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.09 -178.3 17.62 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.142 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -75.99 114.67 14.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.72 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 78.5 m-70 -140.13 134.08 30.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.618 0.246 . . . . 0.0 111.385 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.564 ' HD1' ' HB3' ' A' ' 24' ' ' HIS . 72.8 m-85 70.19 6.04 5.59 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 167.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.3 -35.26 1.91 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.575 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.488 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -150.41 -168.28 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.502 0.192 . . . . 0.0 110.739 179.343 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.623 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.2 mm? -72.07 115.28 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.72 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 2.9 p -132.42 155.31 48.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.317 0.58 . . . . 0.0 111.434 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.9 p -96.71 154.65 17.16 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.382 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.519 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 61.9 mm-40 -64.62 -22.51 66.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.263 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.513 ' HA ' " H2'" ' C' ' 20' ' ' ' DG' . 17.2 p -62.76 -44.1 97.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.043 0.449 . . . . 0.0 110.571 176.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.5 m -78.71 -36.78 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.648 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.555 ' NZ ' " H2'" ' B' ' 7' ' ' ' DG' . 61.1 tttp -58.92 -43.12 91.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.785 0.326 . . . . 0.0 110.424 176.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.0 -49.39 54.5 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.21 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -56.34 -45.33 80.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.834 0.35 . . . . 0.0 110.946 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.622 ' O ' HG22 ' A' ' 41' ' ' VAL . 30.2 t80 -55.8 -51.47 67.34 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.037 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.448 ' HD3' ' C8 ' ' B' ' 8' ' ' ' DG' . 53.3 mtmt -59.0 -45.42 90.7 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.428 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -58.88 -40.56 84.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.94 0.4 . . . . 0.0 110.836 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.4 m -68.25 -52.28 35.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.01 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.631 HG21 HG21 ' A' ' 83' ' ' VAL . 16.0 m -68.65 -48.96 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 11.6 mm-40 -70.14 -35.82 74.32 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -172.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -85.24 1.11 49.64 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.611 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' ' 44' ' ' ASN . 0.9 OUTLIER 63.19 28.14 15.81 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.22 0.534 . . . . 0.0 110.111 -179.551 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -78.73 140.79 38.25 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.947 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -141.27 116.78 10.2 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.638 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CD2' ' HB2' ' A' ' 66' ' ' PRO . 97.9 m-85 -91.58 174.75 7.2 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.523 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.5 m -133.81 151.15 51.48 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.857 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -125.08 119.61 29.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.888 0.375 . . . . 0.0 110.109 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 p -88.08 2.17 52.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.651 178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -102.06 -149.18 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.401 -175.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -75.2 -4.43 38.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.827 -176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 71.02 -45.8 0.62 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.455 0.702 . . . . 0.0 111.809 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.1 m -85.77 62.63 7.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.261 0.553 . . . . 0.0 109.58 173.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 63.1 m -84.62 165.8 17.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.487 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -82.58 114.56 21.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.462 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.5 mm -93.11 96.54 6.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.984 0.421 . . . . 0.0 110.45 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -120.93 -163.64 1.04 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.024 -178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.533 ' HB2' ' NZ ' ' A' ' 59' ' ' LYS . 9.7 mtmp? -61.12 -38.41 86.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.745 0.307 . . . . 0.0 111.556 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 38.7 p -88.61 -50.31 6.34 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -87.54 12.2 13.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -173.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.516 ' HD2' ' OP1' ' C' ' 20' ' ' ' DG' . 24.2 ptt180 -65.43 -31.57 72.73 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.536 177.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.504 ' HB3' H5'' ' C' ' 19' ' ' ' DT' . 16.1 ptpt -96.83 -17.0 20.49 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.912 175.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.462 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 1.7 mmp_? -64.26 -43.2 95.57 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.923 0.392 . . . . 0.0 110.548 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.659 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 49.4 m -126.42 85.39 60.27 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.459 174.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.496 ' HB2' ' CD2' ' A' ' 47' ' ' TYR . 14.0 Cg_exo -68.52 -31.03 27.99 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.763 2.309 . . . . 0.0 111.974 -179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 70.3 t80 -68.14 -41.54 81.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.124 0.488 . . . . 0.0 109.689 177.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.659 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 56.8 m -64.82 -37.53 87.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.32 177.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -70.45 -36.1 73.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -62.21 -50.37 72.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.129 0.49 . . . . 0.0 110.032 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.8 -28.68 67.79 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.617 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -59.37 -45.01 92.63 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.068 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.436 ' HB3' ' SD ' ' A' ' 78' ' ' MET . 63.0 m -59.66 -50.22 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.827 176.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.7 HD11 ' HG ' ' A' ' 80' ' ' LEU . 1.7 mm? -57.46 -37.34 72.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.635 177.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 76.8 m -65.47 -47.82 74.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.779 -177.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.438 HG23 HD11 ' A' ' 27' ' ' LEU . 30.9 m -66.87 -22.46 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.479 -174.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 136.01 -0.17 3.24 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.36 -0.924 . . . . 0.0 113.671 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 73' ' ' CYS . 82.9 mtp -70.45 132.51 45.68 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 117.107 0.454 . . . . 0.0 110.678 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -97.45 142.64 29.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.095 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.7 ' HG ' HD11 ' A' ' 74' ' ' LEU . 96.6 mt -75.73 -34.48 60.33 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.752 0.787 . . . . 0.0 109.391 173.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.418 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 1.6 pm0 -71.73 6.01 2.2 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.332 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.95 4.08 47.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.078 0.466 . . . . 0.0 110.457 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.631 HG21 HG21 ' A' ' 41' ' ' VAL . 5.7 p -129.62 119.92 49.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.459 0.647 . . . . 0.0 110.128 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -107.09 133.93 50.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.992 -177.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.92 -29.94 44.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.901 -174.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -65.56 -80.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.563 ' CD ' H5'' ' B' ' 9' ' ' ' DG' . 5.7 tpp180 -179.67 113.08 0.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 175.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.717 ' O ' H5'' ' B' ' 8' ' ' ' DG' . 40.1 tpp -152.93 98.5 2.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 175.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.523 ' CZ ' " H4'" ' C' ' 25' ' ' ' DT' . 23.0 mtm180 -93.52 8.43 40.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.434 -178.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.72 112.4 4.45 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 174.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.419 ' HA2' " C4'" ' B' ' 7' ' ' ' DG' . . . -67.75 -19.59 71.47 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 121.369 -0.443 . . . . 0.0 113.98 -174.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.756 ' HD2' " H4'" ' C' ' 28' ' ' ' DG' . 65.9 mtt180 -106.21 94.83 5.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 122.304 -0.527 . . . . 0.0 110.941 -178.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -110.77 -138.59 0.38 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.58 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -57.51 -28.98 63.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.265 0.555 . . . . 0.0 110.452 174.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 73.3 m-85 -81.2 3.24 24.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.065 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.457 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -58.27 -58.25 15.58 Favored Glycine 0 CA--C 1.522 0.52 0 CA-C-O 119.747 -0.474 . . . . 0.0 113.368 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 10.4 Cg_endo -54.34 -45.5 40.52 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.844 2.363 . . . . 0.0 112.915 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.9 ptm -70.75 -30.45 66.96 Favored 'General case' 0 C--O 1.221 -0.402 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.734 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.491 ' HB2' ' O ' ' A' ' 95' ' ' PHE . 15.3 t80 -63.75 -46.76 83.87 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.451 0.643 . . . . 0.0 109.83 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -59.96 -47.2 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.243 176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.502 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 41.7 ttm180 -66.35 -44.89 82.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.263 -177.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.03 -46.25 82.53 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.111 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.5 ttp180 -64.68 -39.28 93.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.347 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.96 -40.13 94.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.728 179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 84.9 mt -67.25 -30.58 70.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.801 178.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -66.74 -32.14 73.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.592 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -87.09 -38.22 16.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.576 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -68.3 140.08 55.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.738 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 109' ' ' LYS . 2.9 mptp? -88.98 -64.92 1.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 177.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 110' ' ' LYS . 29.7 mmtp -140.29 161.38 37.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.114 0.483 . . . . 0.0 111.011 178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.646 -0.692 . . . . 0.0 109.702 178.557 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.453 H2'' ' OP2' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 O5'-C5'-C4' 111.274 0.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.506 H2'' ' C6 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 P-O3'-C3' 120.652 0.793 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.506 ' C6 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-N19 108.42 0.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.854 H2'' ' C5 ' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 O4'-C1'-N19 108.24 0.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.854 ' C5 ' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-N19 108.28 0.6 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.46 H2'' ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-N19 108.518 0.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.566 " H1'" " H5'" ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C1'-O4'-C4' 110.469 0.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.717 H5'' ' O ' ' A' ' 88' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C1'-C2' 107.457 1.233 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.684 ' OP2' H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C4'-C3'-C2' 104.795 1.595 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-N19 108.447 0.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.448 H2'' ' H8 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C4'-C3'-C2' 105.318 2.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.448 ' H8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C4'-C3'-C2' 104.106 0.906 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-N19 108.498 0.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.674 H2'' ' C8 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-C2' 106.834 0.667 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.674 ' C8 ' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C3'-C2'-C1' 101.668 -0.737 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.811 H2'' ' C5 ' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O5'-C5'-C4' 111.5 0.929 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.811 ' C5 ' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-N19 108.571 0.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.55 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.501 1.273 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.55 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C4'-C3'-C2' 104.574 1.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.611 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-N19 108.353 0.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.613 " H1'" " H5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 107.093 0.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.76 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 P-O3'-C3' 121.383 1.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.76 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.548 1.316 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.824 H2'' ' C6 ' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C4'-C3'-C2' 104.752 1.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.824 ' C6 ' H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C4'-C3'-C2' 104.744 1.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.919 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C4'-C3'-C2' 104.65 1.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.978 " H1'" " H5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 104.683 1.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.978 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.313 1.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 0.488 ' C6 ' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 P-O3'-C3' 120.659 0.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.467 ' OP2' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 107.112 0.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 CA--C 1.515 -0.373 0 CA-C-O 121.433 0.635 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.605 ' HG3' HD22 ' A' ' 28' ' ' LEU . 7.3 mm-40 -116.56 156.02 27.68 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.909 -176.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 19' ' ' LYS . 7.0 mp -109.5 143.78 38.68 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 121.149 0.499 . . . . 0.0 110.809 172.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' SG ' HG12 ' A' ' 20' ' ' VAL . 21.8 m -60.89 129.45 90.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.252 -0.886 . . . . 0.0 110.984 -176.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HG2' HG21 ' A' ' 76' ' ' VAL . 58.8 Cg_endo -70.81 -0.67 8.13 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.922 2.415 . . . . 0.0 112.242 178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.642 HG13 ' HB3' ' A' ' 72' ' ' LYS . 47.6 t -100.77 -69.88 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.703 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.509 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 20.8 p -82.21 -12.8 57.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.779 -174.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.71 40.64 93.96 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.12 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.505 ' HB2' ' NH1' ' A' ' 62' ' ' ARG . 2.7 t70 -137.89 166.92 22.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' HA ' ' HG ' ' A' ' 12' ' ' LEU . 26.1 mtmm -57.06 145.58 30.28 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 122.826 0.451 . . . . 0.0 111.417 -173.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.504 HG12 ' SG ' ' A' ' 13' ' ' CYS . 20.3 m -90.43 164.11 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.03 0.443 . . . . 0.0 111.405 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.8 t -100.99 -1.37 34.51 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 174.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.01 99.96 2.39 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.066 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' OH ' ' HD3' ' A' ' 103' ' ' ARG . 87.8 m-85 57.06 -151.61 0.41 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 122.376 0.27 . . . . 0.0 111.194 177.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.605 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 4.9 m-70 127.06 -29.48 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.639 1.976 . . . . 0.0 108.868 171.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.421 ' C ' ' H ' ' A' ' 27' ' ' LEU . 95.9 m-85 -138.62 -151.69 0.39 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.78 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.54 31.48 1.2 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.993 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.427 HD21 HG23 ' A' ' 76' ' ' VAL . 1.7 pp 176.55 -178.35 0.15 Allowed 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.605 HD22 ' HG3' ' A' ' 11' ' ' GLU . 6.6 mp -86.17 119.75 26.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.054 0.454 . . . . 0.0 110.808 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.605 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 30.9 p -128.11 172.61 10.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.156 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 25.5 p -111.13 -179.26 3.68 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 176.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -65.94 -27.38 68.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.707 0.289 . . . . 0.0 110.456 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.436 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 18.8 t -68.12 -39.48 82.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.299 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 74.3 m -67.69 -52.42 38.01 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.423 177.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.528 ' HD2' ' N7 ' ' B' ' 8' ' ' ' DG' . 27.5 ttpp -61.15 -37.86 84.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.829 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -62.62 -56.83 19.15 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.406 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -63.95 -38.62 91.76 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.655 0.264 . . . . 0.0 111.362 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.58 ' O ' HG22 ' A' ' 41' ' ' VAL . 15.0 t80 -58.53 -52.74 64.39 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.653 ' HE2' ' C8 ' ' B' ' 9' ' ' ' DG' . 23.9 mtpp -62.66 -39.65 94.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.313 178.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.577 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 33.9 mmt180 -49.94 -50.39 46.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.769 0.318 . . . . 0.0 110.835 176.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 m -65.66 -57.99 6.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.722 HG21 HG21 ' A' ' 83' ' ' VAL . 16.2 m -65.01 -45.36 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.411 HE22 ' HA ' ' A' ' 85' ' ' ALA . 14.1 mm100 -79.05 -35.93 41.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.017 0.437 . . . . 0.0 111.933 -172.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.577 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -81.88 -4.69 57.14 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 61.62 40.42 13.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.964 174.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -92.73 158.04 16.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.966 -1.015 . . . . 0.0 111.791 -174.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -129.59 95.82 4.1 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.611 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -82.77 160.64 22.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.411 -176.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -143.44 -175.74 4.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.219 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.584 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 53.7 t -135.24 146.89 49.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.7 p -90.09 -18.37 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.494 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -91.51 -93.08 0.14 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.165 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 12.7 p -122.81 -2.6 8.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.898 -173.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.584 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 28.2 mt-30 72.32 -38.42 0.42 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.225 0.61 . . . . 0.0 111.738 -176.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.2 m -101.85 72.45 1.35 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.351 0.596 . . . . 0.0 109.404 173.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 56.8 m -100.21 170.71 8.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.739 -177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -89.97 143.61 26.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.133 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.69 107.21 21.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.32 0.581 . . . . 0.0 110.186 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -124.36 179.85 4.75 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.013 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -56.69 -36.24 69.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.055 0.455 . . . . 0.0 110.823 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.1 p -84.23 -28.01 27.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.04 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -103.97 -8.86 19.31 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -169.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.509 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 34.7 ptt180 -71.57 -20.39 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.814 0.34 . . . . 0.0 111.153 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HZ1' " H4'" ' B' ' 15' ' ' ' DG' . 17.4 ptpt -97.12 -6.4 35.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.012 0.434 . . . . 0.0 110.617 173.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.516 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 67.8 mtp180 -90.94 -62.63 1.41 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.732 -174.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.627 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 77.1 m -94.11 103.15 9.79 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 -176.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 56.6 Cg_endo -74.53 -42.67 0.58 Allowed 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.168 1.912 . . . . 0.0 111.819 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -61.31 -46.39 90.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.945 0.402 . . . . 0.0 110.295 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.627 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 25.6 m -63.37 -39.59 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' HD2' ' O ' ' A' ' 62' ' ' ARG . 61.8 ttt180 -66.48 -40.62 89.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.759 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -61.6 -50.78 71.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.063 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -59.09 -41.87 89.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.323 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.642 ' HB3' HG13 ' A' ' 15' ' ' VAL . 22.2 tptp -53.23 -44.45 68.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.778 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.88 -56.56 20.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.611 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.88 -29.18 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.524 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.0 m -65.8 -50.03 66.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 111.518 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.427 HG23 HD21 ' A' ' 27' ' ' LEU . 33.3 m -71.47 -22.08 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.658 -174.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.43 5.46 2.93 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.216 175.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 85.4 mtp -71.0 109.59 5.19 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.457 ' HB3' ' OE1' ' A' ' 81' ' ' GLU . 31.5 mmt180 -76.13 135.29 39.82 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.72 -173.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.549 ' O ' HG12 ' A' ' 83' ' ' VAL . 24.7 tp -72.13 -34.18 68.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.678 -176.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.457 ' OE1' ' HB3' ' A' ' 79' ' ' ARG . 1.2 pm0 -76.05 6.49 5.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.624 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HB3' ' HD2' ' A' ' 25' ' ' TYR . . . -85.83 -2.76 58.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.059 0.457 . . . . 0.0 110.587 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.722 HG21 HG21 ' A' ' 41' ' ' VAL . 12.6 p -102.11 142.33 16.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.902 175.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.611 ' NH1' " H5'" ' B' ' 8' ' ' ' DG' . 65.6 mtt180 -108.87 122.12 46.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 -176.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.411 ' HA ' HE22 ' A' ' 42' ' ' GLN . . . -83.7 -21.8 32.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.123 -178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 13.3 m-20 -74.85 -73.35 0.25 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.565 ' HA ' ' OP1' ' B' ' 9' ' ' ' DG' . 4.5 tpp180 -179.75 -91.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.894 170.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.623 ' SD ' H5'' ' C' ' 26' ' ' ' DG' . 53.8 tpp 45.82 86.7 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.526 0.517 . . . . 0.0 110.582 -172.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.784 ' HG2' " H4'" ' B' ' 9' ' ' ' DG' . 67.1 mtp180 -76.31 61.13 1.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.63 -172.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.461 ' HA2' " H1'" ' B' ' 7' ' ' ' DG' . . . 129.39 -177.63 17.87 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.45 175.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.673 ' O ' " H4'" ' B' ' 7' ' ' ' DG' . . . 76.25 165.33 19.72 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.314 -0.469 . . . . 0.0 113.3 174.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.62 ' O ' " H4'" ' C' ' 27' ' ' ' DA' . 0.0 OUTLIER -108.13 175.58 5.43 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.447 ' OD1' ' HG3' ' A' ' 94' ' ' LYS . 25.2 t-20 -164.14 -70.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.922 0.391 . . . . 0.0 110.347 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.447 ' HG3' ' OD1' ' A' ' 93' ' ' ASN . 54.7 mttp -84.13 -35.15 23.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.593 0.711 . . . . 0.0 109.88 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.454 ' HB3' ' HD2' ' A' ' 99' ' ' TYR . 71.5 m-85 -87.59 52.2 2.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.426 -178.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.04 -72.08 1.16 Allowed Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.427 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.12 -47.67 19.2 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.179 2.586 . . . . 0.0 112.885 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -63.93 -29.06 70.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.631 0.253 . . . . 0.0 111.351 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.473 ' OH ' ' HB3' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -69.89 -55.97 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.377 -178.275 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -64.73 -30.36 71.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.672 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 64.5 ttt180 -63.19 -47.94 80.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.095 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.08 -44.3 97.57 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.749 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.61 ' HD3' ' OH ' ' A' ' 23' ' ' TYR . 15.4 tpt180 -56.72 -49.1 76.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.09 177.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.26 -38.02 87.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.456 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.478 ' HA ' ' HG3' ' A' ' 108' ' ' GLN . 88.3 mt -76.73 -33.38 58.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.822 0.344 . . . . 0.0 111.433 -178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -67.34 -25.86 66.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.185 0.517 . . . . 0.0 110.432 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 -101.33 -68.73 0.8 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.783 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.478 ' HG3' ' HA ' ' A' ' 105' ' ' LEU . 25.4 mt-30 58.28 -177.39 0.07 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.664 0.745 . . . . 0.0 112.574 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.74 137.06 53.19 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.177 172.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.81 -45.52 13.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.88 0.371 . . . . 0.0 110.641 -176.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.631 -0.7 . . . . 0.0 110.213 178.15 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.658 H2'' ' OP2' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.622 0 O5'-C5'-C4' 111.8 1.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.658 ' OP2' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 P-O3'-C3' 120.853 0.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.759 H2'' ' C6 ' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 P-O3'-C3' 120.583 0.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.759 ' C6 ' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C4'-C3'-C2' 104.545 1.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.613 ' C5 ' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C4'-C3' 106.59 0.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.528 H2'' ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.306 0.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.673 " H4'" ' O ' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 P-O3'-C3' 121.113 1.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.676 " H1'" " H5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C4'-C3'-C2' 104.744 1.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.784 " H4'" ' HG2' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 P-O3'-C3' 120.671 0.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.922 " H1'" " H5'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C1'-N19 108.425 0.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.922 " H5'" " H1'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 O4'-C1'-C2' 107.445 1.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.847 " H5'" " H1'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 P-O3'-C3' 120.818 0.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.641 ' C6 ' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C4'-C3'-C2' 104.035 0.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.683 " H1'" " H5'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C1'-O4'-C4' 110.443 0.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.683 " H5'" " H1'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C1'-C2' 107.568 1.335 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.758 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.575 0 O4'-C1'-N19 108.693 1.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.758 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 P-O3'-C3' 120.907 1.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.694 H2'' ' C5 ' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 104.057 0.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.694 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C4'-C3' 106.395 0.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.669 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 104.555 -1.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.669 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 P-O3'-C3' 120.903 1.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.716 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-N19 108.346 0.682 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.834 H2'' ' C5 ' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 P-O3'-C3' 120.948 1.04 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.834 ' C5 ' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C4'-C3'-C2' 102.173 -1.027 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.735 " H1'" ' O ' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-N19 108.593 0.991 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.981 " H1'" " H5'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 C4'-C3'-C2' 104.747 1.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.981 " H5'" " H1'" ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 P-O3'-C3' 121.985 1.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.651 ' C8 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 108.736 1.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 0.567 ' OP2' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 P-O3'-C3' 121.324 1.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.431 ' H6 ' " H2'" ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-C2' 107.56 1.327 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.191 0.519 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.539 ' O ' HG22 ' A' ' 20' ' ' VAL . 47.9 mt-10 -140.63 158.61 43.72 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.161 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.49 138.99 33.25 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.284 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 49.5 t -62.74 118.31 40.4 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.905 179.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.4 -11.52 23.2 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.889 2.393 . . . . 0.0 112.599 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.48 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 95.0 t -85.9 -66.01 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.966 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.52 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 25.9 p -91.59 -14.19 30.68 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -171.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.18 43.48 47.34 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.941 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.555 ' HB2' ' NH1' ' A' ' 62' ' ' ARG . 2.5 t70 -141.43 160.25 40.52 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -57.14 135.46 56.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.834 0.349 . . . . 0.0 111.556 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.61 HG11 ' HB3' ' A' ' 28' ' ' LEU . 35.1 m -80.57 146.52 7.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.832 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 p -91.18 -13.2 33.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.254 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.17 -159.81 33.28 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.686 178.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -108.1 113.44 26.58 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.572 ' HA ' ' P ' ' B' ' 7' ' ' ' DG' . 76.1 m-70 -132.56 152.67 51.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.693 -176.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 65.74 -82.96 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.66 0.6 . . . . 0.0 111.272 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.87 19.71 0.43 Allowed Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.777 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.6 173.29 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.0 111.102 -175.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.61 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.7 mm? -72.63 117.78 14.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.761 178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.486 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 0.7 OUTLIER -138.75 153.31 48.45 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.541 -173.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.8 p -97.74 162.99 13.0 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.457 175.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -61.63 -33.11 73.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.952 0.406 . . . . 0.0 110.747 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.723 ' HB2' " H2'" ' C' ' 20' ' ' ' DG' . 34.3 t -55.78 -52.96 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.928 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.6 m -63.78 -50.41 69.12 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -174.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -67.15 -23.18 65.76 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.085 -0.646 . . . . 0.0 111.115 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.36 -50.59 49.29 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.397 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -69.86 -40.77 75.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.612 0.244 . . . . 0.0 110.594 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -53.29 -55.03 27.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.663 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.639 ' NZ ' " H2'" ' B' ' 8' ' ' ' DG' . 57.0 mtmt -71.42 -31.12 66.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.876 -177.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -62.71 -41.74 99.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.599 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.5 m -65.45 -48.71 71.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.419 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.64 HG11 HG11 ' A' ' 83' ' ' VAL . 54.8 t -61.67 -51.24 75.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.048 -179.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -59.34 -40.83 87.58 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -176.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.444 ' CB ' ' HG3' ' A' ' 45' ' ' LYS . 51.3 m-80 -83.97 -3.5 58.03 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.702 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.48 31.42 21.01 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.374 0.607 . . . . 0.0 109.543 -176.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' HG3' ' CB ' ' A' ' 43' ' ' ASN . 85.4 mttt -70.16 111.59 5.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.473 -174.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -102.51 89.48 3.55 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.609 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.495 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 94.4 m-85 -72.41 165.66 24.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.75 -178.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 m -139.93 146.36 39.09 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.4 t -114.56 16.18 17.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.921 0.391 . . . . 0.0 110.655 -173.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.452 HG22 ' HG3' ' A' ' 51' ' ' GLU . 28.1 m 65.36 -76.27 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.534 -173.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HG3' HG22 ' A' ' 50' ' ' THR . 45.2 mt-10 -131.54 171.85 12.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 176.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 p 47.46 72.39 0.26 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.543 0.687 . . . . 0.0 110.496 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -66.2 -19.54 65.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.106 -174.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.1 p -113.89 79.59 1.27 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.794 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.1 m -81.05 167.28 19.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.56 177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -75.23 110.81 9.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.141 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.2 mm -80.6 103.76 8.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.902 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -111.15 175.45 5.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.837 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -59.3 -26.49 65.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.388 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 65.6 p -88.97 -50.21 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.585 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -80.91 -0.29 38.54 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -171.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.555 ' NH1' ' HB2' ' A' ' 18' ' ' ASP . 30.3 ptt180 -73.1 -14.35 61.37 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.042 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.711 ' HG2' " C5'" ' C' ' 19' ' ' ' DT' . 54.7 mttp -96.67 -6.86 35.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.893 0.378 . . . . 0.0 110.684 170.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.544 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 12.3 mtp180 -92.31 -54.02 3.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.758 -174.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 85.1 m -105.49 100.22 25.16 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.766 0.317 . . . . 0.0 111.587 -177.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 16.9 Cg_exo -68.12 -49.76 0.92 Allowed 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.726 2.284 . . . . 0.0 111.783 178.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 90.3 t80 -62.34 -42.89 99.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.747 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 56.7 m -64.88 -35.57 81.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.73 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.985 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 77.7 ttt180 -72.46 -34.1 67.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.058 178.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -64.04 -49.68 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.206 176.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 68' ' ' CYS . 0.0 OUTLIER -67.7 -29.05 68.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.01 179.054 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.48 ' HG3' ' HA ' ' A' ' 15' ' ' VAL . 42.4 tptt -60.34 -45.83 92.08 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.497 173.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 75.0 m -59.57 -41.7 90.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.257 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.33 -38.68 81.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.118 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 54.2 m -55.26 -46.38 76.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.956 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.6 m -77.5 -15.89 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.075 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.73 30.05 4.74 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 119.945 -1.121 . . . . 0.0 114.065 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 66.0 mtp -73.56 106.14 5.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 172.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -66.41 126.08 27.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.327 -169.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.19 -22.87 65.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.194 172.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.415 ' HB2' ' HZ ' ' A' ' 95' ' ' PHE . 16.6 mt-10 -65.12 -23.42 67.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.022 177.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.92 -34.07 39.25 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.276 -176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.64 HG11 HG11 ' A' ' 41' ' ' VAL . 2.8 p -78.97 97.22 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.689 . . . . 0.0 110.218 177.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -92.73 104.67 16.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.798 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.64 -1.0 9.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.426 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -83.08 9.91 9.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.247 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.769 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 12.1 tpp180 71.5 17.87 5.59 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.659 177.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.449 ' O ' " H4'" ' B' ' 8' ' ' ' DG' . 79.2 mmm -83.7 104.47 13.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.441 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.617 ' HA ' " O4'" ' B' ' 8' ' ' ' DG' . 99.4 mtt180 -85.79 58.31 4.97 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.268 -176.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 153.09 -176.55 31.14 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.448 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.457 ' N ' H5'' ' C' ' 27' ' ' ' DA' . . . 138.1 69.72 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 1.084 ' HB2' H5'' ' C' ' 28' ' ' ' DG' . 66.3 mtt180 -83.22 85.07 7.27 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -135.57 -73.87 0.45 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.861 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -65.75 -31.44 72.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.187 0.517 . . . . 0.0 110.614 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.415 ' HZ ' ' HB2' ' A' ' 81' ' ' GLU . 50.1 m-85 -85.83 -6.13 59.14 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.615 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -48.91 -68.17 1.41 Allowed Glycine 0 C--N 1.331 0.291 0 O-C-N 123.487 0.492 . . . . 0.0 113.365 -175.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -53.1 -53.23 7.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.74 2.293 . . . . 0.0 113.235 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.2 ptm -62.59 -37.7 87.25 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -70.28 -49.23 51.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.968 0.414 . . . . 0.0 110.041 -177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 53.5 mttm -59.55 -42.83 93.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.201 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.455 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 52.4 ttt180 -66.25 -48.75 69.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.953 -176.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.12 -47.75 84.81 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.045 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -60.8 -40.87 94.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.374 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.24 -37.09 80.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.511 HD13 ' HE2' ' A' ' 110' ' ' LYS . 80.5 mt -70.47 -23.02 62.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.345 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -82.73 -15.73 50.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.925 0.393 . . . . 0.0 111.05 175.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -89.85 -41.57 11.75 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.852 ' HG2' ' H ' ' A' ' 109' ' ' LYS . 11.4 tt0 -88.97 -162.44 0.86 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.03 -0.987 . . . . 0.0 108.605 173.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.852 ' H ' ' HG2' ' A' ' 108' ' ' GLN . 65.7 mttm -131.53 156.54 45.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 170.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.511 ' HE2' HD13 ' A' ' 105' ' ' LEU . 93.1 mttt -92.21 115.45 28.09 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.94 0.4 . . . . 0.0 110.811 -174.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.681 -0.676 . . . . 0.0 110.216 179.744 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.592 0 O5'-C5'-C4' 111.659 1.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.77 H2'' ' C5 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C3'-C2'-C1' 101.48 -0.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.77 ' C5 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C1'-O4'-C4' 110.427 0.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.8 H2'' ' C6 ' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 P-O3'-C3' 120.59 0.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.8 ' C6 ' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C4'-C3'-C2' 104.338 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.485 H2'' ' OP2' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 P-O3'-C3' 120.515 0.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.58 H2'' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-N19 108.839 1.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.706 " H1'" " H5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.316 1.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.769 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C4'-C3'-C2' 104.499 1.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.699 H2'' ' OP2' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C4'-C3' 106.298 0.698 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.699 ' OP2' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-C2' 107.488 1.262 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.423 ' H8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.269 1.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.471 H2'' ' C8 ' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C4'-C3'-C2' 104.666 1.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.658 H2'' ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-N19 108.383 0.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.658 ' OP2' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 P-O3'-C3' 120.583 0.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.843 H2'' ' H71' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.432 -0.515 0 O5'-C5'-C4' 111.727 1.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.843 ' H71' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C1'-O4'-C4' 110.579 0.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.776 H2'' ' OP2' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-N19 109.564 2.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.985 " H3'" HH12 ' A' ' 69' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 P-O3'-C3' 120.835 0.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 1.06 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 104.529 1.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 1.06 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 107.546 1.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.48 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 P-O3'-C3' 120.439 0.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.48 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 P-O3'-C3' 120.833 0.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.705 H2'' ' OP2' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 107.443 1.221 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.747 H2'' ' H8 ' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 P-O3'-C3' 121.838 1.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.747 ' H8 ' H2'' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-N19 108.565 0.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.71 " H1'" " O4'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 105.134 1.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 1.084 H5'' ' HB2' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 P-O3'-C3' 120.577 0.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 0.944 ' C6 ' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C4'-C3'-C2' 104.446 1.246 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 107.231 1.028 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.5 t70 . . . . . 0 CA--C 1.518 -0.285 0 CA-C-O 121.271 0.558 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -128.75 151.37 49.63 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.358 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.1 mt -107.85 135.2 49.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.08 0.467 . . . . 0.0 110.948 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -65.67 114.99 18.28 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.355 176.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.645 ' HB2' HG11 ' A' ' 76' ' ' VAL . 24.1 Cg_endo -61.13 -14.65 34.82 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.013 2.475 . . . . 0.0 112.856 -174.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.577 HG11 ' SG ' ' A' ' 73' ' ' CYS . 61.7 t -85.11 -61.68 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.048 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.868 ' HB2' ' HD2' ' A' ' 62' ' ' ARG . 28.2 p -96.17 -16.7 21.32 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 -170.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.87 60.34 4.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.555 -0.831 . . . . 0.0 111.686 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.498 ' OD1' ' HG2' ' A' ' 19' ' ' LYS . 1.8 t0 -159.78 -170.32 2.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HG2' ' OD1' ' A' ' 18' ' ' ASP . 35.8 mmtm -57.47 163.29 2.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.046 0.45 . . . . 0.0 111.64 -176.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.3 m -127.93 155.55 39.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.746 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.5 m -92.33 -5.19 52.7 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.297 0.57 . . . . 0.0 109.905 176.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' LEU . . . 118.46 -156.94 15.44 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.444 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.439 ' O ' " H3'" ' B' ' 6' ' ' ' DA' . 6.1 m-85 -70.57 106.13 3.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.203 0.525 . . . . 0.0 111.004 178.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.63 ' HA ' ' OP2' ' B' ' 7' ' ' ' DG' . 82.0 t60 -136.45 112.86 9.95 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.147 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 71.46 20.67 4.79 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.644 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.65 -15.17 63.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.177 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.3 mt -114.59 161.24 18.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.725 0.298 . . . . 0.0 110.903 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.7 mm? -80.3 94.1 6.04 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 171.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.761 HG21 ' SD ' ' A' ' 78' ' ' MET . 44.5 p -126.16 160.25 30.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.838 0.352 . . . . 0.0 110.929 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.23 172.42 6.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.086 -174.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.725 ' HA ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -65.03 -36.84 85.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.261 -178.314 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.458 ' OG ' " H2'" ' C' ' 20' ' ' ' DG' . 23.0 m -60.95 -42.53 98.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.111 0.481 . . . . 0.0 110.867 178.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.8 m -75.83 -42.67 49.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.222 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.725 ' HG2' ' HA ' ' A' ' 31' ' ' GLU . 58.6 pttt -62.04 -36.02 80.34 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.152 178.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' A' ' 39' ' ' ARG . . . -63.68 -55.18 26.51 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.495 177.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.465 ' HA ' ' HD2' ' A' ' 39' ' ' ARG . 72.3 t80 -59.56 -38.52 81.32 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.696 0.284 . . . . 0.0 111.286 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -59.45 -52.29 66.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.521 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.691 ' HE2' " H2'" ' B' ' 8' ' ' ' DG' . 7.4 mtmp? -65.79 -38.39 88.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.74 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 86.8 mtt180 -55.89 -44.95 78.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.746 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.8 m -66.62 -51.24 58.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.9 t -64.9 -49.67 78.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.92 -176.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -70.9 -29.58 65.69 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -87.88 1.89 52.88 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.0 m120 59.55 39.52 21.48 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.61 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -91.37 150.27 21.35 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.666 -174.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -145.26 94.21 2.49 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.917 174.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -70.81 169.44 14.62 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.083 -174.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 p -119.41 171.27 8.45 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.943 175.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 38.3 t -121.32 -49.59 2.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.653 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 m 72.29 -43.85 0.57 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.899 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.93 -54.95 38.77 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 12.6 t -163.06 -27.9 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 52' ' ' SER . 72.9 mt-30 77.64 -47.59 0.48 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.586 0.754 . . . . 0.0 111.27 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.9 t -87.94 67.98 9.14 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.471 0.653 . . . . 0.0 109.359 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 61.8 m -93.15 155.55 17.4 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.581 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -83.38 83.76 7.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.84 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.678 HD11 ' HB2' ' A' ' 68' ' ' CYS . 51.0 mm -64.13 99.68 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.254 0.55 . . . . 0.0 110.863 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -125.73 -161.71 1.06 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.285 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HE3' ' HB2' ' A' ' 59' ' ' LYS . 39.4 ttmt -58.21 -34.69 70.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.953 0.158 . . . . 0.0 111.377 178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 77.7 p -88.85 -50.01 6.46 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -78.28 -11.0 59.9 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -172.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.868 ' HD2' ' HB2' ' A' ' 16' ' ' CYS . 29.2 ptt180 -63.16 -25.26 68.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 111.371 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.896 ' HA ' H5'' ' C' ' 19' ' ' ' DT' . 14.8 ptmm? -96.78 -9.17 29.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.253 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -84.49 -33.55 23.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.826 0.346 . . . . 0.0 111.248 -175.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 72.3 m -132.75 101.56 14.09 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.128 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.42 -40.47 57.38 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.571 2.181 . . . . 0.0 111.497 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -59.56 -51.21 70.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.574 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.678 ' HB2' HD11 ' A' ' 57' ' ' ILE . 57.4 m -65.41 -35.19 80.19 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.939 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.984 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 73.6 ttt180 -68.74 -38.12 79.92 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.977 0.417 . . . . 0.0 110.437 177.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.522 ' O ' HD13 ' A' ' 74' ' ' LEU . 64.6 t80 -63.45 -53.49 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.875 176.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.95 -27.28 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.552 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' HD3' ' HB ' ' A' ' 57' ' ' ILE . 21.1 tptm -63.49 -43.87 96.02 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.158 176.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.589 ' HB3' ' HG3' ' A' ' 78' ' ' MET . 61.2 m -59.16 -48.53 81.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.479 0.656 . . . . 0.0 109.784 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 70' ' ' PHE . 9.1 mp -62.03 -40.31 95.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.879 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.2 m -54.58 -49.34 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.967 0.413 . . . . 0.0 110.821 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.645 HG11 ' HB2' ' A' ' 14' ' ' PRO . 35.5 m -78.55 -6.05 8.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.04 -179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.58 41.55 4.73 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.411 -0.899 . . . . 0.0 113.906 170.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.761 ' SD ' HG21 ' A' ' 29' ' ' THR . 26.1 mmm -67.27 137.3 56.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.893 0.378 . . . . 0.0 110.161 170.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -73.99 115.17 13.14 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.796 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.502 HD21 ' HG ' ' A' ' 74' ' ' LEU . 4.5 mm? -72.64 -30.49 64.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.46 176.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.552 ' HG2' ' HZ ' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -82.84 -12.82 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.899 -177.57 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.42 -19.8 52.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.163 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.45 HG13 ' HG2' ' A' ' 38' ' ' LYS . 47.7 t -57.13 109.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.352 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.48 ' HB2' H5'' ' B' ' 8' ' ' ' DG' . 5.4 mmp_? -78.21 77.83 4.7 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.196 0.522 . . . . 0.0 110.864 -178.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.51 -3.01 38.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.014 175.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -79.6 1.74 24.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.336 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.834 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 6.2 tpp180 66.64 17.66 10.64 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 121.957 0.884 . . . . 0.0 110.12 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 90.4 mtp -98.48 117.78 33.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.776 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.673 ' HG3' " O4'" ' B' ' 8' ' ' ' DG' . 9.6 mpt_? -79.87 59.77 3.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.64 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.17 -119.23 0.78 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.311 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 1.066 ' H ' " H4'" ' C' ' 27' ' ' ' DA' . . . 86.1 26.42 34.14 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.516 -178.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.758 ' HB3' " H4'" ' C' ' 28' ' ' ' DG' . 61.8 ttp180 -77.37 86.52 3.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.163 0.506 . . . . 0.0 110.855 -177.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.473 ' HB3' ' OP1' ' C' ' 28' ' ' ' DG' . 9.5 p30 -157.1 -38.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.819 176.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -59.25 -44.48 92.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.352 0.596 . . . . 0.0 110.394 -178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.552 ' HZ ' ' HG2' ' A' ' 81' ' ' GLU . 46.3 m-85 -101.21 11.78 38.74 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.327 -175.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.511 ' O ' ' HG2' ' A' ' 100' ' ' LYS . . . -55.94 -51.47 55.22 Favored Glycine 0 CA--C 1.524 0.623 0 CA-C-N 115.478 -0.783 . . . . 0.0 113.396 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.71 -51.05 11.3 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.653 2.235 . . . . 0.0 112.733 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 25.3 ptm -70.87 -30.43 66.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.007 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.87 -56.36 22.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 111.066 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 96' ' ' GLY . 7.0 ptpp? -68.34 -39.14 81.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 -178.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 101' ' ' ARG . 11.8 ttm180 -65.71 -56.41 12.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.414 -176.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 -33.82 74.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -176.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 103' ' ' ARG . 11.7 ttm180 -65.77 -41.64 91.82 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.567 -0.453 . . . . 0.0 109.842 176.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -63.02 -34.49 77.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 80.4 mt -70.07 -37.04 75.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.034 177.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -74.42 -37.27 63.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.487 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -94.72 11.17 32.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.917 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -62.74 -72.65 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.764 -178.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -174.34 117.76 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -80.35 82.93 6.28 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.774 179.744 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.407 ' C6 ' ' C6 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.599 0 O5'-C5'-C4' 111.478 0.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.661 H2'' ' C6 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 P-O3'-C3' 120.292 0.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.661 ' C6 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-C1' 101.236 -1.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.622 ' H72' " C2'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-N19 108.675 1.094 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.837 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 106.953 0.776 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.837 ' C8 ' H2'' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.357 0.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.654 H2'' ' OP2' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 104.611 1.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.691 " H2'" ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 P-O3'-C3' 121.244 1.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.834 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-C2' 104.545 -1.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.495 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 104.335 1.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.681 " H1'" " H5'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 O4'-C1'-C2' 107.535 1.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.681 " H5'" " H1'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 P-O3'-C3' 120.56 0.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.594 H2'' ' C8 ' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C4'-C3' 106.144 0.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.823 " H1'" " H5'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-N19 108.424 0.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.823 " H5'" " H1'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C3'-C2'-C1' 105.05 1.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.71 " H1'" " H5'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.667 0 C4'-C3'-C2' 104.1 0.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.71 " H5'" " H1'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C1'-C2' 107.004 0.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.695 H2'' ' OP2' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C4'-C3' 106.363 0.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.984 " H3'" HH12 ' A' ' 69' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C4'-C3'-C2' 104.418 1.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.948 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C4'-C3' 106.325 0.725 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 1.036 " H1'" " H5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 P-O3'-C3' 120.365 0.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 1.036 " H5'" " H1'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-C2' 107.401 1.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.566 H2'' ' C6 ' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C4'-C3'-C2' 104.164 0.964 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.877 " H1'" " H5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-N19 108.67 1.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.971 H2'' ' C8 ' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C4'-C3' 106.308 0.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.975 " H1'" " H5'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O4'-C1'-N19 108.909 1.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 1.066 " H4'" ' H ' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.576 1.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.839 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 102.461 -0.739 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 0.626 ' C6 ' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-N19 109.134 1.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.519 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-N19 108.219 0.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 . . . . . 0 N--CA 1.465 0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -73.23 155.84 39.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.771 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.9 mt -112.94 143.86 43.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.028 0.442 . . . . 0.0 110.772 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.6 t -69.06 110.66 6.51 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 174.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -68.9 11.87 0.29 Allowed 'Trans proline' 0 N--CA 1.476 0.481 0 C-N-CA 123.428 2.752 . . . . 0.0 114.422 -168.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.557 HG13 ' H ' ' A' ' 16' ' ' CYS . 2.9 p -112.28 -62.62 2.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.024 0.44 . . . . 0.0 111.133 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.557 ' H ' HG13 ' A' ' 15' ' ' VAL . 20.1 p -91.79 -20.4 21.55 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.444 -174.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.06 26.07 35.39 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.661 -0.781 . . . . 0.0 113.143 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -96.23 161.65 13.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 175.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -72.01 139.51 48.59 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 26.3 m -73.63 151.84 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.093 0.473 . . . . 0.0 111.831 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.5 t -108.95 -14.28 14.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.16 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.39 -177.77 33.22 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.546 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -78.78 120.11 22.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.718 0.295 . . . . 0.0 110.941 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.5 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 61.4 m-70 -136.75 118.49 15.06 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 175.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.47 ' CE1' HG12 ' A' ' 83' ' ' VAL . 42.4 m-85 67.24 28.93 7.9 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.171 176.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.02 -23.69 35.0 Favored Glycine 0 N--CA 1.453 -0.196 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.665 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.0 mt -112.29 147.94 35.23 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.905 0.383 . . . . 0.0 111.643 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.425 HD11 ' HE3' ' A' ' 106' ' ' LYS . 5.4 mp -74.33 114.54 12.82 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 171.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.5 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 20.7 p -136.12 167.34 21.44 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.743 -174.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 p -92.19 157.5 16.67 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.887 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -58.86 -28.2 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.043 0.449 . . . . 0.0 110.195 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.642 ' OG ' " H3'" ' C' ' 20' ' ' ' DG' . 0.9 OUTLIER -51.74 -54.28 30.21 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.117 175.209 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 95.5 m -78.9 -32.37 45.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.039 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 31.7 ttpt -54.99 -51.2 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.048 0.452 . . . . 0.0 110.095 174.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.48 -47.53 83.1 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.418 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -60.01 -42.57 94.58 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.678 0.275 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.62 ' O ' HG22 ' A' ' 41' ' ' VAL . 12.1 t80 -61.04 -49.35 77.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.001 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.516 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 7.6 mtmp? -58.1 -46.45 85.5 Favored 'General case' 0 CA--C 1.521 -0.152 0 O-C-N 123.231 0.332 . . . . 0.0 110.937 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -54.01 -43.4 70.03 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.993 0.425 . . . . 0.0 110.564 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.4 m -70.34 -57.13 5.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.705 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.776 HG21 HG11 ' A' ' 83' ' ' VAL . 17.3 m -68.69 -43.15 83.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -172.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.14 -39.84 91.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.691 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 46.0 m-80 -93.92 -3.35 51.84 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.328 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 59.3 38.3 23.21 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.699 0.761 . . . . 0.0 109.957 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.691 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 28.6 mtpp -68.41 125.87 27.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.602 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -107.92 111.07 22.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.114 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.606 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 71.8 m-85 -85.82 172.09 11.04 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.7 m -141.55 122.76 14.76 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.278 0.561 . . . . 0.0 111.382 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.1 t -115.43 -44.31 2.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.625 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.7 p 53.86 173.51 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.116 0.967 . . . . 0.0 112.911 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 65.7 -59.57 0.29 Allowed 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.689 0.796 . . . . 0.0 111.524 -176.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.6 m -139.27 92.4 2.58 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -67.83 -14.47 62.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.053 0.454 . . . . 0.0 110.526 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -110.64 83.96 1.85 Allowed 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.365 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 82.8 m -94.35 165.64 12.47 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.123 175.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HB2' ' NZ ' ' A' ' 56' ' ' LYS . 9.7 mtmp? -73.9 101.09 3.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.723 -178.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.577 HD11 ' HB2' ' A' ' 68' ' ' CYS . 47.0 mm -76.02 113.35 14.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.576 0.703 . . . . 0.0 110.094 178.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -140.53 -176.94 4.82 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.548 ' HA ' ' HD2' ' A' ' 62' ' ' ARG . 37.3 mtpt -74.69 -16.03 60.77 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.617 0.722 . . . . 0.0 109.362 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.4 p -79.9 -49.97 11.15 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.436 173.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 44.3 mt-30 -96.95 18.53 14.48 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -175.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.548 ' HD2' ' HA ' ' A' ' 59' ' ' LYS . 11.1 ptm85 -64.4 -39.47 93.92 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.601 0.239 . . . . 0.0 111.6 -177.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.57 ' HE2' " H4'" ' C' ' 19' ' ' ' DT' . 95.1 mttt -95.61 -18.49 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 175.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.434 ' HB2' ' HA ' ' A' ' 61' ' ' GLN . 76.3 mtp180 -71.21 -36.79 72.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.295 -174.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.449 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 83.2 m -126.81 84.32 63.35 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-O 120.797 0.332 . . . . 0.0 111.035 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.05 -38.41 28.46 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.581 2.187 . . . . 0.0 111.383 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.606 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 74.4 t80 -65.25 -47.67 75.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.391 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.577 ' HB2' HD11 ' A' ' 57' ' ' ILE . 43.3 m -64.26 -35.54 81.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.524 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.07 -46.24 90.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.933 176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -61.73 -45.16 95.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.271 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -56.54 -37.83 71.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.265 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.903 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 14.0 ttmt -75.56 -27.62 58.69 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.539 -0.465 . . . . 0.0 111.268 178.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 84.1 m -57.07 -45.55 83.2 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 173.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.681 ' HG ' HD21 ' A' ' 80' ' ' LEU . 7.2 mp -72.63 -32.66 66.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 174.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.903 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 2.9 m -54.65 -47.95 72.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.694 175.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.6 m -80.03 -30.39 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.377 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.47 34.98 0.68 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.321 -0.943 . . . . 0.0 114.086 171.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 87.5 mtp -78.74 121.65 25.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.327 0.563 . . . . 0.0 109.537 175.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -68.37 125.4 26.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.39 -172.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.681 HD21 ' HG ' ' A' ' 74' ' ' LEU . 3.4 mm? -75.36 -46.41 33.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.282 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -77.33 3.03 14.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.489 -176.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.39 -29.44 33.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.725 179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.776 HG11 HG21 ' A' ' 41' ' ' VAL . 19.2 m -71.94 144.11 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-O 121.177 0.513 . . . . 0.0 110.879 -178.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 91' ' ' GLY . 56.9 mtt180 -115.21 89.36 3.08 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.297 175.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.68 -16.31 25.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.252 175.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.24 -1.13 11.63 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.571 175.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.816 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 1.4 tmm_? 66.44 85.47 0.14 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.833 175.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.684 ' O ' H5'' ' B' ' 8' ' ' ' DG' . 57.5 tpp -142.57 121.43 12.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.231 176.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.595 ' HD3' ' H21' ' B' ' 7' ' ' ' DG' . 97.5 mtt180 -80.92 60.0 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.237 0.541 . . . . 0.0 111.31 -175.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 157.72 -127.95 2.01 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.374 -0.691 . . . . 0.0 111.374 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 1.023 ' HA2' " H4'" ' C' ' 27' ' ' ' DA' . . . 73.9 48.51 16.1 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.282 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.563 ' O ' H5'' ' C' ' 28' ' ' ' DG' . 66.3 mtm180 -85.81 87.49 7.41 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 -177.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -120.08 -62.42 1.48 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.334 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.846 ' HA ' ' HE3' ' A' ' 94' ' ' LYS . 0.8 OUTLIER -62.13 -42.05 98.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.105 -175.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.641 ' O ' ' HG2' ' A' ' 98' ' ' MET . 67.0 m-85 -120.33 19.09 12.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.54 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.58 -60.36 7.52 Favored Glycine 0 CA--C 1.524 0.634 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.432 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.74 -32.12 82.91 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 123.211 2.607 . . . . 0.0 114.17 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.641 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 25.5 ptm -64.21 -29.01 70.14 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.59 0.233 . . . . 0.0 111.24 -174.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.777 ' CG ' H5'' ' B' ' 6' ' ' ' DA' . 55.9 m-85 -60.89 -54.79 40.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.166 0.508 . . . . 0.0 111.122 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.689 ' HD2' " H4'" ' C' ' 29' ' ' ' DC' . 92.4 mttt -71.88 -20.76 61.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.637 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.472 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 35.2 ttp180 -61.87 -55.48 29.36 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 172.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -34.57 72.16 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.811 178.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 3.6 mmp_? -54.51 -50.98 66.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 110.749 174.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.89 61.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.815 -177.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 98.3 mt -76.71 -46.37 25.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.029 0.442 . . . . 0.0 111.186 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.425 ' HE3' HD11 ' A' ' 28' ' ' LEU . 67.9 mttm -78.89 -14.89 58.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.11 -0.496 . . . . 0.0 112.054 -174.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -82.16 -22.24 36.16 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -70.04 113.0 6.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.573 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm 67.08 -0.28 1.78 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.918 -174.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 66.3 mttm 57.88 34.07 23.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.697 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.771 -0.633 . . . . 0.0 110.542 -179.147 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.568 0 O5'-C5'-C4' 111.5 0.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.601 H2'' ' C5 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-N19 108.575 0.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.601 ' C5 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 P-O3'-C3' 120.351 0.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.603 H2'' ' OP2' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-C2' 107.011 0.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.603 ' OP2' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 P-O3'-C3' 121.27 1.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.777 H5'' ' CG ' ' A' ' 99' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C4'-C3'-C2' 104.499 1.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.595 ' H21' ' HD3' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 P-O3'-C3' 121.973 1.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.684 H5'' ' O ' ' A' ' 88' ' ' MET . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C4'-C3' 106.495 0.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.816 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-N19 108.488 0.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.795 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C4'-C3'-C2' 104.878 1.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.795 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C4'-C3'-C2' 105.357 2.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.576 ' H8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 104.514 -1.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-N19 108.443 0.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.703 " H1'" " H5'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 107.267 1.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.703 " H5'" " H1'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 O4'-C1'-C2' 107.562 1.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.861 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 O5'-C5'-C4' 111.427 0.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.861 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 P-O3'-C3' 121.989 1.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 1.025 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-N19 109.215 1.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 1.025 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 105.388 1.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.691 H2'' ' C8 ' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C4'-C3'-C2' 104.728 1.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.691 ' C8 ' H2'' ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 P-O3'-C3' 120.802 0.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.565 ' H6 ' " O5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 107.278 1.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.458 H2'' ' C6 ' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C4'-C3'-C2' 104.697 1.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.58 " C2'" ' H72' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-N19 108.384 0.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.58 ' H72' " C2'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 P-O3'-C3' 120.819 0.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.577 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C4'-C3'-C2' 104.656 1.456 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 1.023 " H4'" ' HA2' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-C2' 106.96 0.781 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.828 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C4'-C3'-C2' 102.392 -0.808 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 0.689 " H4'" ' HD2' ' A' ' 100' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O4'-C1'-N19 108.424 0.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.458 ' C5 ' ' C2 ' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C3'-C2'-C1' 101.124 -1.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 p30 . . . . . 0 N--CA 1.463 0.204 0 CA-C-O 120.999 0.428 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.603 ' HG2' HD22 ' A' ' 28' ' ' LEU . 32.3 mp0 -92.19 145.17 24.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.184 0.516 . . . . 0.0 110.582 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.1 mt -136.74 155.42 49.87 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.41 110.46 5.3 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.418 ' HG2' HG21 ' A' ' 76' ' ' VAL . 61.1 Cg_endo -74.19 12.65 0.98 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.996 2.464 . . . . 0.0 112.823 -173.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.5 t -104.09 -57.51 4.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.48 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HA ' HG22 ' A' ' 57' ' ' ILE . 14.2 p -111.07 -12.9 14.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -173.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.41 27.79 35.09 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.735 -178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -97.21 170.24 9.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.561 -0.376 . . . . 0.0 110.158 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 37.9 mtmm -72.37 150.32 43.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.688 0.28 . . . . 0.0 110.268 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.2 m -78.03 148.19 6.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.117 0.484 . . . . 0.0 111.345 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 m -106.99 7.17 29.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.284 174.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 117.16 -178.24 17.02 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.968 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.96 118.56 6.41 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 176.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.76 ' HA ' ' OP2' ' B' ' 7' ' ' ' DG' . 7.9 m-70 -134.48 112.45 10.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.504 0.192 . . . . 0.0 110.974 178.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 74.35 -54.0 0.68 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.638 0.775 . . . . 0.0 112.03 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.9 -39.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.31 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.867 HD22 HG13 ' A' ' 76' ' ' VAL . 5.9 mp -118.45 174.8 6.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD22 ' HG2' ' A' ' 11' ' ' GLU . 6.1 mp -81.62 105.6 12.9 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 171.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 60.8 p -121.21 171.21 8.88 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.153 -176.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 11.5 p -94.55 156.47 16.43 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.622 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 55.1 mm-40 -57.32 -26.86 61.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.728 174.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 m -59.28 -47.69 84.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.755 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 89.0 m -82.53 -35.2 27.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 33.4 tttm -56.66 -46.02 81.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.968 0.413 . . . . 0.0 110.739 173.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.13 72.45 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.037 -0.602 . . . . 0.0 112.122 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -57.37 -43.78 83.84 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.942 0.401 . . . . 0.0 110.992 177.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.588 ' O ' HG22 ' A' ' 41' ' ' VAL . 51.5 t80 -59.15 -51.53 69.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.134 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.808 ' HE2' ' C8 ' ' B' ' 9' ' ' ' DG' . 16.2 mtpp -59.15 -44.12 92.08 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.831 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -54.84 -43.07 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 110.588 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 36.8 m -69.92 -55.45 9.64 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.601 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.702 HG21 HG21 ' A' ' 83' ' ' VAL . 13.8 m -63.08 -43.16 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 -175.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 10.4 mm-40 -70.24 -24.7 63.12 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -174.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.665 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 56.6 m-80 -107.16 2.5 24.85 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.817 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.409 HD22 ' N ' ' A' ' 44' ' ' ASN . 0.9 OUTLIER 59.84 40.1 19.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.334 0.588 . . . . 0.0 109.625 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.665 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 27.7 mtpp -76.47 110.1 10.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.29 -173.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -103.72 110.83 23.07 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.732 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 60.1 m-85 -88.56 -175.0 4.8 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.737 -175.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -142.74 159.16 42.77 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.291 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.687 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 42.3 t -145.86 152.83 40.12 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.1 p -89.87 178.59 6.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.53 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 64.35 -87.12 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.76 176.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.5 p -145.79 5.63 1.03 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.35 -176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.687 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 23.3 mt-30 68.38 3.76 3.91 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.319 -176.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -91.24 70.25 6.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.422 0.63 . . . . 0.0 110.586 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 38.7 m -108.24 163.84 12.83 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.148 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.555 ' N ' ' HD3' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -107.91 143.32 36.71 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.696 HG13 ' HA ' ' A' ' 69' ' ' ARG . 43.8 mm -101.81 121.1 52.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.195 0.521 . . . . 0.0 110.473 -177.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.514 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 17.9 t70 -135.5 -177.03 4.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.936 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -54.12 -43.75 70.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.356 0.598 . . . . 0.0 110.848 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.2 t -86.42 -24.96 25.5 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.336 -178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.514 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 45.5 mt-30 -95.48 4.3 53.38 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.157 -0.34 . . . . 0.0 111.895 -174.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -72.67 -28.6 62.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.749 -0.205 . . . . 0.0 111.418 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' HE2' " O3'" ' C' ' 19' ' ' ' DT' . 91.5 mttt -95.6 -8.21 35.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.646 0.26 . . . . 0.0 111.449 176.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.538 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 72.2 mtp180 -79.16 -63.4 1.43 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -174.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 80.6 m -108.9 94.64 15.02 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.78 0.324 . . . . 0.0 110.856 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 18.9 Cg_exo -66.66 -35.08 30.03 Favored 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.595 2.197 . . . . 0.0 111.501 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.732 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 61.9 t80 -68.57 -46.09 70.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.457 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 53.8 m -62.57 -38.54 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.154 178.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.696 ' HA ' HG13 ' A' ' 57' ' ' ILE . 66.7 ttt180 -68.44 -41.25 80.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.709 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -61.34 -47.59 85.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.184 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -63.39 -36.75 84.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.527 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -61.51 -40.85 96.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.438 177.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 71.0 m -61.65 -48.46 80.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.037 0.446 . . . . 0.0 110.235 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.573 ' HA ' ' O ' ' A' ' 78' ' ' MET . 71.9 mt -64.4 -48.61 74.75 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.737 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.0 m -50.53 -44.13 56.25 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.731 176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.867 HG13 HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -65.41 -26.96 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.038 -176.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.466 ' HA3' HD11 ' A' ' 27' ' ' LEU . . . 134.79 -0.9 3.81 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.584 -1.294 . . . . 0.0 113.41 177.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.573 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 88.2 mtp -77.29 120.87 22.92 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 175.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.524 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . 22.7 mmt180 -94.4 149.74 20.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.842 0.353 . . . . 0.0 111.125 -173.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 70.6 mt -69.62 -36.77 76.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.397 0.618 . . . . 0.0 110.294 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -82.81 5.24 22.23 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.19 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 79' ' ' ARG . . . -88.86 -20.04 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.702 HG21 HG21 ' A' ' 41' ' ' VAL . 2.4 p -93.77 118.97 40.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.132 0.492 . . . . 0.0 110.836 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.936 ' HB3' H5'' ' B' ' 8' ' ' ' DG' . 28.1 tpt180 -70.59 105.11 3.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.946 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.36 -26.16 35.74 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.591 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.51 ' HB3' ' NE ' ' A' ' 84' ' ' ARG . 5.2 t70 -51.67 -79.09 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.599 177.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.928 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 10.5 tpt180 171.89 -37.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.634 0.374 . . . . 0.0 110.24 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.52 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 85.5 mmm -52.86 120.02 5.29 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.955 -177.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.807 ' HD3' ' H21' ' B' ' 7' ' ' ' DG' . 66.7 mtt180 -79.95 59.71 3.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.015 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.823 ' HA2' " C5'" ' C' ' 27' ' ' ' DA' . . . -79.56 113.39 3.65 Favored Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.886 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.675 ' HA2' " C5'" ' B' ' 7' ' ' ' DG' . . . -50.44 -49.28 39.45 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.351 -0.452 . . . . 0.0 112.139 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.648 ' HD2' ' O ' ' A' ' 91' ' ' GLY . 19.8 mmm180 -123.38 129.56 51.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 174.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -104.32 -70.79 0.76 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.414 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -113.43 -40.77 3.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.125 0.488 . . . . 0.0 110.393 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 99' ' ' TYR . 81.5 m-85 -84.62 54.39 3.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.791 -173.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.468 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -76.78 -59.79 3.12 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.872 177.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 9.3 Cg_endo -52.53 -52.68 8.35 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.169 2.579 . . . . 0.0 113.548 -177.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.8 ptm -60.54 -29.92 69.43 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.851 0.358 . . . . 0.0 111.102 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.533 ' HE2' " C5'" ' B' ' 6' ' ' ' DA' . 1.1 t80 -71.07 -48.84 50.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.545 0.688 . . . . 0.0 109.611 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -62.81 -41.95 99.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.656 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -63.68 -45.52 89.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.277 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.77 -46.97 87.28 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.236 -178.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.608 HH12 " H4'" ' B' ' 5' ' ' ' DC' . 51.6 ttp180 -67.54 -39.26 85.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.826 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 108' ' ' GLN . . . -58.39 -49.5 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.772 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.9 mt -66.61 -36.57 82.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.11 0.481 . . . . 0.0 110.544 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -63.03 -52.45 62.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.783 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -72.33 -22.02 61.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.796 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.509 ' HB2' ' O ' ' A' ' 104' ' ' ALA . 48.3 tt0 -72.84 87.49 1.3 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.695 -178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 110' ' ' LYS . 48.4 mmtm -134.56 100.81 4.75 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 109' ' ' LYS . 77.3 tttt 68.6 128.6 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.777 0.673 . . . . 0.0 110.868 -176.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.547 -0.739 . . . . 0.0 110.136 179.457 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.653 0 O5'-C5'-C4' 111.59 0.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.445 " H1'" " H5'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 C2'-C3'-O3' 111.591 0.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.562 H2'' ' OP2' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 P-O3'-C3' 120.761 0.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.562 ' OP2' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C4'-C3' 106.41 0.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.608 " H4'" HH12 ' A' ' 103' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 P-O3'-C3' 120.908 1.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 1.01 " H1'" " H5'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-N19 108.929 1.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 1.01 " H5'" " H1'" ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 107.506 1.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.936 H5'' ' HB3' ' A' ' 84' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 106.955 0.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.928 H5'' ' HD2' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 101.12 -1.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.617 ' C5 ' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 O4'-C1'-C2' 107.086 0.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.669 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C4'-C3'-C2' 104.927 1.727 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.669 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 P-O3'-C3' 121.644 1.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.416 ' C2 ' ' C2 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 P-O3'-C3' 120.464 0.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.548 H2'' ' C8 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C4'-C3' 106.245 0.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.548 ' C8 ' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-N19 108.31 0.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.536 0 O5'-C5'-C4' 111.534 0.953 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.896 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C4'-C3'-C2' 104.593 1.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.896 ' C8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.551 0.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.713 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-C2' 107.485 1.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.466 ' C2 ' ' C2 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 104.481 -1.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.621 H2'' ' OP2' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 P-O3'-C3' 120.55 0.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.733 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 P-O3'-C3' 121.258 1.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.884 H2'' ' C5 ' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 C4'-C3'-C2' 104.51 1.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.884 ' C5 ' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C3'-C2'-C1' 101.749 -0.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 P-O3'-C3' 120.415 0.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.641 " H1'" " H5'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C4'-C3' 106.463 0.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.823 " C5'" ' HA2' ' A' ' 90' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.538 1.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.618 H2'' ' C6 ' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-N19 108.989 1.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 0.747 H2'' ' C6 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-N19 108.635 1.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.747 ' C6 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C4'-C3' 106.059 0.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.801 0.334 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -76.96 157.66 31.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.771 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.6 mt -98.45 144.42 27.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.195 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.1 m -65.42 127.36 92.88 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.095 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -69.55 -3.59 12.18 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.355 2.036 . . . . 0.0 111.947 177.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.8 t -93.79 -65.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.746 177.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 7.5 p -94.92 -28.64 15.08 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -173.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.64 18.25 33.28 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.502 -0.856 . . . . 0.0 113.67 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -119.3 166.25 13.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 117.295 0.548 . . . . 0.0 110.528 176.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 19' ' ' LYS . 10.2 mtpm? -51.61 129.56 26.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.305 0.574 . . . . 0.0 112.414 -175.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.2 m -69.14 152.81 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.818 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.406 ' H ' ' HA ' ' A' ' 30' ' ' CYS . 20.1 m -98.15 5.57 48.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.401 0.62 . . . . 0.0 109.784 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 122.68 -172.15 15.72 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.88 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB3' ' OH ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -71.9 128.55 36.09 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 177.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.675 ' HA ' ' OP2' ' B' ' 7' ' ' ' DG' . 24.0 m-70 -136.72 -104.38 0.2 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.695 0.283 . . . . 0.0 111.261 176.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.412 ' HD1' ' HB3' ' A' ' 24' ' ' HIS . 3.9 m-85 -83.72 81.93 8.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.855 0.36 . . . . 0.0 111.109 -174.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.55 -18.17 30.94 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.386 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.483 HD21 HG23 ' A' ' 76' ' ' VAL . 2.4 pt? -164.81 -171.08 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 117.022 0.411 . . . . 0.0 110.564 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.439 HD11 ' HE2' ' A' ' 106' ' ' LYS . 5.7 mp -76.78 119.55 20.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.183 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.48 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 2.0 p -144.89 154.35 42.53 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.938 -178.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.406 ' HA ' ' H ' ' A' ' 21' ' ' SER . 30.0 p -88.83 173.47 8.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.851 0.358 . . . . 0.0 110.29 177.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' HB3' ' H41' ' C' ' 22' ' ' ' DC' . 13.2 mm-40 -61.47 -29.78 70.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.215 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.641 ' HB2' " C2'" ' C' ' 20' ' ' ' DG' . 9.4 t -66.2 -38.79 88.85 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.677 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 84.6 m -60.95 -58.72 7.26 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.628 -178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 25' ' ' TYR . 19.4 pttp -71.33 -21.57 62.03 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.132 -178.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.18 -58.42 11.76 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.811 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -68.42 -41.03 80.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.653 0.264 . . . . 0.0 111.001 -179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -56.12 -52.47 64.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.232 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.644 ' HA ' HG22 ' A' ' 41' ' ' VAL . 51.2 pttt -73.88 -34.42 64.45 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.917 -176.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.0 mtt-85 -53.01 -44.2 67.12 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.252 0.549 . . . . 0.0 110.431 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 39.1 m -67.42 -53.98 24.34 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.441 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.644 HG22 ' HA ' ' A' ' 38' ' ' LYS . 15.9 m -64.34 -43.44 97.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -175.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.51 ' OE1' ' HA ' ' A' ' 85' ' ' ALA . 17.5 mm-40 -63.45 -23.78 67.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.826 0.345 . . . . 0.0 111.723 -176.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -106.54 7.61 30.91 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.63 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.4 31.53 21.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.426 176.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -81.98 136.15 35.3 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.796 -172.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -127.04 122.76 35.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.828 174.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.403 ' CG ' ' HB2' ' A' ' 66' ' ' PRO . 89.9 m-85 -98.15 158.42 15.56 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.145 -178.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.9 m -126.21 123.57 38.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.523 ' SG ' ' HG3' ' A' ' 53' ' ' GLN . 18.2 t -115.36 4.14 14.32 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 175.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 51' ' ' GLU . 44.9 m 72.64 109.02 0.07 Allowed 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.702 -178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 50' ' ' THR . 10.2 mm-40 68.59 -170.21 0.18 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.266 -175.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 17.6 m -73.99 -32.59 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.43 -177.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.629 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 14.6 mm100 73.15 -53.15 0.7 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 172.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 m 61.67 29.59 18.21 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.344 0.403 . . . . 0.0 110.701 -177.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.629 ' SG ' ' HB3' ' A' ' 53' ' ' GLN . 60.3 m -57.78 139.67 53.42 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.542 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.94 107.18 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.149 0.499 . . . . 0.0 111.032 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.41 HD11 ' HB2' ' A' ' 68' ' ' CYS . 24.1 mm -77.37 116.6 21.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.745 178.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 15.4 t70 -143.62 -163.4 1.65 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.619 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 33.5 mtmm -70.3 -23.65 62.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.166 0.508 . . . . 0.0 110.177 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.6 p -81.48 -50.54 9.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.509 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -102.36 8.79 40.16 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -170.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.619 ' NE ' ' HA ' ' A' ' 59' ' ' LYS . 11.1 ptp180 -53.67 -42.67 68.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.529 ' CB ' H5'' ' C' ' 19' ' ' ' DT' . 0.0 OUTLIER -96.63 -7.68 33.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.669 0.271 . . . . 0.0 111.48 -176.187 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 53.7 mtp180 -74.93 -43.13 55.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.431 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.562 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 68.3 m -119.69 91.49 44.98 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.011 -178.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.403 ' HB2' ' CG ' ' A' ' 47' ' ' TYR . 32.1 Cg_exo -59.39 -41.7 55.76 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.614 2.21 . . . . 0.0 111.722 176.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -47.0 86.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.807 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 40.5 m -67.43 -37.69 83.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.556 -178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.527 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 77.2 ttt180 -66.77 -37.3 84.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.322 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -59.37 -56.73 18.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.113 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.66 -35.49 72.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -58.24 -43.41 87.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.573 176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 66.2 m -60.38 -51.11 70.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.233 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.618 ' HA ' ' O ' ' A' ' 78' ' ' MET . 7.6 mp -61.55 -30.15 70.47 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.637 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 60.0 m -65.12 -49.42 70.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.782 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.483 HG23 HD21 ' A' ' 27' ' ' LEU . 34.3 m -73.32 -18.29 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -171.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.84 -12.21 2.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.054 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.618 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 77.5 mtp -69.34 113.08 6.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -107.71 164.75 11.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.162 0.506 . . . . 0.0 111.832 -174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -76.63 -21.99 54.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.99 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.52 -17.65 64.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.138 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.73 2.02 53.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.666 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.515 HG11 HG21 ' A' ' 41' ' ' VAL . 41.6 t -101.03 111.82 31.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.467 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 84' ' ' ARG . 57.3 mtt180 -80.32 89.27 5.53 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.514 174.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.51 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . . . -56.54 -21.76 28.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.457 171.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.02 -25.85 23.36 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.196 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 65.92 89.3 0.1 Allowed 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.554 0.742 . . . . 0.0 110.726 179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.775 ' HB2' " H5'" ' B' ' 8' ' ' ' DG' . 75.8 mmm -98.45 -175.98 3.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.009 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.619 ' HB3' " H4'" ' C' ' 25' ' ' ' DT' . 0.2 OUTLIER -115.55 17.36 16.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.347 173.638 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.12 -160.95 28.13 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.478 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.558 ' HA2' " H1'" ' C' ' 26' ' ' ' DG' . . . 94.93 133.94 7.42 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.802 -0.714 . . . . 0.0 111.992 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.568 ' HE ' " H4'" ' B' ' 6' ' ' ' DA' . 80.2 mtp180 -66.72 150.57 48.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.496 ' HB2' H5'' ' B' ' 7' ' ' ' DG' . 60.3 t30 -65.41 152.72 43.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.264 -175.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -65.26 -21.8 66.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.722 -177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.456 ' HB3' ' SD ' ' A' ' 98' ' ' MET . 11.3 m-30 -79.58 38.77 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.815 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -50.54 -53.93 22.94 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.587 -0.563 . . . . 0.0 113.975 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.24 -54.96 4.33 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.786 2.324 . . . . 0.0 113.589 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.456 ' SD ' ' HB3' ' A' ' 95' ' ' PHE . 4.8 ppp? -69.7 -29.46 66.87 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.813 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.644 ' HE2' H5'' ' B' ' 6' ' ' ' DA' . 67.3 t80 -67.62 -44.23 78.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.129 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -63.95 -44.61 92.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.72 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.638 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 96.8 mtt180 -65.74 -45.72 81.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -58.89 -44.98 91.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 0.0 110.104 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.401 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 54.2 ttp180 -62.87 -37.56 87.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.605 178.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.799 ' HB1' ' HE3' ' A' ' 109' ' ' LYS . . . -69.43 -38.15 77.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.854 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 70.0 mt -73.76 -28.6 61.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.168 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.439 ' HE2' HD11 ' A' ' 28' ' ' LEU . 6.2 tmtm? -67.0 -43.5 82.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.98 173.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 108' ' ' GLN . 26.7 tt0 -74.61 -30.85 61.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.619 -179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 107' ' ' GLN . 10.3 mm100 67.62 102.22 0.05 OUTLIER 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.95 0.781 . . . . 0.0 111.023 -177.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.799 ' HE3' ' HB1' ' A' ' 104' ' ' ALA . 98.4 mttt -72.39 -32.55 66.5 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.375 178.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -121.08 147.55 45.39 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.783 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.557 -0.735 . . . . 0.0 109.765 177.673 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.505 H2'' ' C8 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.552 0 O5'-C5'-C4' 111.69 1.064 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.505 ' C8 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-N19 109.27 1.837 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.443 " H2'" ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 107.055 0.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.443 ' H72' " H2'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C4'-C3'-C2' 104.722 1.522 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.402 ' OP2' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 P-O3'-C3' 120.869 0.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.644 H5'' ' HE2' ' A' ' 99' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-N19 108.71 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.675 ' OP2' ' HA ' ' A' ' 24' ' ' HIS . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C4'-C3'-C2' 104.429 1.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.859 H2'' ' OP2' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 109.093 1.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.859 ' OP2' H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 P-O3'-C3' 122.262 2.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.572 " O4'" " H1'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 104.601 -1.363 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.596 ' H6 ' " O5'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 O4'-C1'-C2' 107.528 1.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.504 ' H8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C4'-C3'-C2' 104.201 1.001 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.496 H2'' ' C8 ' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C1'-N19 108.484 0.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.856 " H1'" " H5'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-N19 108.433 0.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.856 " H5'" " H1'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 P-O3'-C3' 121.269 1.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.794 " H1'" " H5'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.568 0 O5'-C5'-C4' 111.991 1.279 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.794 " H5'" " H1'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 107.102 0.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.544 H2'' ' OP2' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-N19 108.856 1.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.544 ' OP2' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-N19 108.567 0.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 1.063 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C4'-C3'-C2' 104.482 1.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 1.063 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 P-O3'-C3' 121.722 1.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.998 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 107.023 0.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.998 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 P-O3'-C3' 120.872 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.589 ' C6 ' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-N19 108.187 0.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.619 " H4'" ' HB3' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C4'-C3'-C2' 104.61 1.41 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.558 " H1'" ' HA2' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 104.361 -1.581 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.543 ' C8 ' H2'' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C3'-C2'-C1' 101.976 -0.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.544 " H1'" " H5'" ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C3'-C2'-C1' 102.025 -0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 0.605 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C4'-C3'-C2' 102.705 -0.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.605 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 107.269 1.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 CA--C 1.519 -0.212 0 CA-C-O 121.438 0.637 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -94.8 161.62 14.1 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.107 178.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.4 mt -117.03 150.38 38.72 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 85.4 m -60.41 128.98 88.75 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.24 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HB2' HG21 ' A' ' 76' ' ' VAL . 73.7 Cg_endo -71.7 12.3 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.299 0 C-N-CA 123.371 2.714 . . . . 0.0 113.096 -177.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.661 HG13 ' H ' ' A' ' 16' ' ' CYS . 2.4 p -131.93 -69.76 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.583 176.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.661 ' H ' HG13 ' A' ' 15' ' ' VAL . 29.9 p -77.91 -18.41 56.15 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -176.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.26 9.74 86.22 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.826 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.41 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 10.4 m-20 -78.31 158.74 28.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.676 0.274 . . . . 0.0 111.033 178.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -63.24 134.08 55.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.925 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.96 143.0 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.24 0.543 . . . . 0.0 111.551 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.7 t -105.34 25.63 10.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.86 175.51 19.92 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.305 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CD2' ' HD3' ' A' ' 103' ' ' ARG . 80.1 t80 -80.26 117.12 20.76 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.483 ' HA ' ' OH ' ' A' ' 99' ' ' TYR . 93.8 m-70 -143.68 135.89 26.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.724 -0.216 . . . . 0.0 110.95 -176.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 24' ' ' HIS . 3.4 m-85 75.31 -35.12 0.27 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.457 0.703 . . . . 0.0 112.681 172.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.02 -26.2 0.17 Allowed Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 111.805 -0.518 . . . . 0.0 111.805 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -127.4 -175.26 3.4 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.1 mp -93.47 119.45 32.56 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.084 -0.709 . . . . 0.0 109.084 171.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 33' ' ' CYS . 20.1 p -137.55 158.23 44.82 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.841 -173.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.4 p -83.82 178.44 7.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.986 0.422 . . . . 0.0 111.229 -178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -63.61 -38.31 90.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.086 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.959 ' HB3' " H2'" ' C' ' 20' ' ' ' DG' . 0.1 OUTLIER -64.15 -36.29 83.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.267 179.089 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.492 ' HB2' ' HB ' ' A' ' 29' ' ' THR . 98.0 m -62.45 -53.31 56.68 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.658 0.266 . . . . 0.0 110.476 176.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -59.67 -44.17 93.7 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 120.995 0.426 . . . . 0.0 110.803 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -63.87 -55.83 22.3 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.53 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.406 ' CD2' ' HD2' ' A' ' 69' ' ' ARG . 92.7 t80 -62.79 -37.57 87.19 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.497 0.189 . . . . 0.0 111.222 -177.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 41' ' ' VAL . 32.3 t80 -58.41 -53.3 59.85 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.693 ' HG2' HG13 ' A' ' 83' ' ' VAL . 26.1 mtmm -64.79 -41.58 95.73 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 120.531 -0.467 . . . . 0.0 111.411 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 36.2 mmt180 -49.48 -44.66 46.14 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.928 0.394 . . . . 0.0 111.418 177.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.1 m -71.04 -48.15 54.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.24 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.64 ' HB ' HG11 ' A' ' 83' ' ' VAL . 20.8 t -70.38 -41.89 78.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.755 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -58.47 -40.82 83.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.173 0.511 . . . . 0.0 110.729 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.484 HD22 ' N ' ' A' ' 43' ' ' ASN . 0.9 OUTLIER -90.28 -0.65 57.72 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.728 -177.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.1 p30 44.2 43.28 5.69 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.729 0.812 . . . . 0.0 111.293 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HE2' ' CB ' ' A' ' 43' ' ' ASN . 0.2 OUTLIER -99.27 162.14 13.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.051 -176.085 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -129.28 147.85 51.15 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.656 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 83.5 m-85 -107.48 156.23 19.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.084 0.468 . . . . 0.0 111.557 -173.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.0 m -105.11 129.08 53.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.839 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.5 t -98.0 -52.88 3.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.777 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.9 m 72.56 -38.33 0.42 Allowed 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.59 0.556 . . . . 0.0 112.286 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.85 -56.02 23.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.734 0.302 . . . . 0.0 111.617 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 53' ' ' GLN . 28.3 t -168.25 -26.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.833 -175.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.514 ' HB2' ' O ' ' A' ' 52' ' ' SER . 89.3 mt-30 76.22 -42.4 0.44 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.344 0.658 . . . . 0.0 110.687 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.2 m -85.35 31.64 0.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.299 177.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 55.9 m -68.41 158.8 32.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.123 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -91.77 109.34 20.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.155 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.548 HD11 ' HB2' ' A' ' 68' ' ' CYS . 43.2 mm -84.59 112.64 22.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.624 176.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 62' ' ' ARG . 2.2 p-10 -127.5 -168.04 1.83 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.284 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -63.57 -29.21 70.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.535 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 57.4 p -90.29 -50.84 5.74 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.415 ' HG2' ' NH1' ' A' ' 64' ' ' ARG . 65.5 mt-30 -83.25 5.95 21.25 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -174.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.501 ' HA ' HG23 ' A' ' 57' ' ' ILE . 14.7 ptt180 -53.13 -36.91 61.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.081 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.756 ' HB2' H5'' ' C' ' 19' ' ' ' DT' . 0.1 OUTLIER -95.55 -6.37 40.57 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -175.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.415 ' NH1' ' HG2' ' A' ' 61' ' ' GLN . 97.1 mtt180 -81.66 -38.77 25.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.447 -174.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.452 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 81.7 m -119.26 95.44 49.3 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-O 120.794 0.33 . . . . 0.0 111.293 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 26.7 Cg_endo -64.6 -37.72 35.82 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.472 2.114 . . . . 0.0 111.235 175.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.656 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 87.6 t80 -61.01 -53.64 54.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.523 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.548 ' HB2' HD11 ' A' ' 57' ' ' ILE . 34.1 m -64.15 -33.73 76.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.921 -177.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.742 HH21 ' HA ' ' A' ' 63' ' ' LYS . 28.6 ttm180 -63.56 -52.18 62.16 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.135 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.43 -44.36 97.26 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.935 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.89 -39.08 87.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.916 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.908 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 55.7 tttt -72.44 -27.91 62.62 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 121.111 -0.235 . . . . 0.0 111.494 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 74.7 m -59.98 -46.99 87.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.741 HD21 HD13 ' A' ' 80' ' ' LEU . 28.6 mt -70.24 -39.53 74.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.09 175.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.908 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 3.1 m -50.52 -51.96 42.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.911 173.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.452 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -70.73 -17.99 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.734 -176.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.43 25.56 6.28 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 119.872 -1.156 . . . . 0.0 113.548 174.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.0 mmm -75.01 118.43 17.96 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -59.92 118.97 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.741 HD13 HD21 ' A' ' 74' ' ' LEU . 17.5 tp -69.06 -33.42 73.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.477 0.656 . . . . 0.0 109.891 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.34 -5.29 10.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.743 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HA ' HD22 ' A' ' 93' ' ' ASN . . . -79.68 3.3 19.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.14 0.495 . . . . 0.0 110.713 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.693 HG13 ' HG2' ' A' ' 38' ' ' LYS . 58.7 t -102.21 98.76 7.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.447 175.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.531 ' HA ' ' NE ' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -80.01 71.59 6.73 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.509 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.32 -4.16 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.402 -171.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -89.58 15.57 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.47 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.917 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 7.4 mmm180 65.28 70.36 0.46 Allowed 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.404 175.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.496 ' HB3' ' HG2' ' A' ' 84' ' ' ARG . 13.7 tpt -147.71 121.47 9.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.444 174.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.754 ' HG2' " O4'" ' B' ' 8' ' ' ' DG' . 63.3 mtt180 -92.27 60.91 3.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.366 0.603 . . . . 0.0 111.718 -173.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.589 ' HA2' " C5'" ' C' ' 27' ' ' ' DA' . . . -84.06 127.13 7.93 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.051 177.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.466 ' O ' " H5'" ' B' ' 7' ' ' ' DG' . . . -66.1 -26.8 72.52 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.41 -0.424 . . . . 0.0 113.252 -176.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.772 ' HB2' H5'' ' C' ' 28' ' ' ' DG' . 41.1 mtm180 -130.66 118.7 21.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.313 0.578 . . . . 0.0 111.28 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.586 HD22 ' HA ' ' A' ' 82' ' ' ALA . 54.7 m-20 -80.57 -162.34 0.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.649 173.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.439 ' HE2' ' CA ' ' A' ' 94' ' ' LYS . 10.3 mmpt? -67.68 -24.6 65.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.849 0.357 . . . . 0.0 111.418 -172.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -89.46 16.6 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.1 0.476 . . . . 0.0 110.434 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.54 -50.74 47.11 Favored Glycine 0 CA--C 1.526 0.739 0 CA-C-N 115.712 -0.677 . . . . 0.0 114.155 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 73.8 Cg_exo -52.43 -56.36 2.95 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.545 2.163 . . . . 0.0 113.19 177.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.8 ptm -64.61 -33.33 75.67 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.818 -177.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.483 ' OH ' ' HA ' ' A' ' 24' ' ' HIS . 60.9 t80 -60.23 -47.07 87.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.255 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 1.093 ' HE3' H5'' ' C' ' 29' ' ' ' DC' . 9.2 mtpm? -66.9 -38.58 86.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.924 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 97' ' ' PRO . 22.0 mtm180 -61.02 -51.79 67.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.776 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 106' ' ' LYS . 27.5 t70 -60.82 -43.23 98.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.649 -178.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.454 ' HD3' ' CD2' ' A' ' 23' ' ' TYR . 28.9 tpt180 -64.0 -44.22 93.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.36 -50.52 65.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.138 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.38 -21.67 63.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.344 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 102' ' ' ASP . 43.2 tttp -67.01 -38.97 86.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.35 176.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -92.33 -35.3 13.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.215 0.531 . . . . 0.0 110.498 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -100.42 93.18 5.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.549 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -102.35 170.07 8.3 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.665 -176.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 111' ' ' ALA . 0.3 OUTLIER -78.98 134.87 36.8 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 178.395 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.437 ' N ' ' HD2' ' A' ' 110' ' ' LYS . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.192 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.839 " H1'" " H5'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O5'-C5'-C4' 111.487 0.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.839 " H5'" " H1'" ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C4'-C3'-C2' 102.551 -0.649 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.595 " C2'" ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 P-O3'-C3' 120.58 0.733 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.768 H2'' ' C6 ' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 P-O3'-C3' 120.504 0.67 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.798 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C4'-C3'-C2' 104.849 1.649 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.798 ' C8 ' H2'' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C4'-C3'-C2' 104.482 1.282 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.68 ' H21' ' HD3' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-N19 108.323 0.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.754 " O4'" ' HG2' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 C3'-C2'-C1' 105.058 1.684 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.917 H5'' ' HD2' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 C4'-C3'-C2' 104.048 0.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.751 ' C5 ' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.392 0.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 107.381 1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.737 H2'' ' OP2' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 107.236 1.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.737 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 P-O3'-C3' 121.497 1.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.509 H2'' ' OP2' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-C2' 107.029 0.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.509 ' OP2' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 107.293 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.546 " H2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 O5'-C5'-C4' 111.7 1.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.821 " H1'" " H5'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C4'-C3' 106.575 0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.821 " H5'" " H1'" ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-C1' 104.612 1.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.756 H5'' ' HB2' ' A' ' 63' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C4'-C3'-C2' 104.932 1.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.959 " H2'" ' HB3' ' A' ' 32' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C1'-N19 108.863 1.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 P-O3'-C3' 120.279 0.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.455 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C4'-C3'-C2' 104.782 1.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.584 " H1'" " H5'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 P-O3'-C3' 120.974 1.062 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.809 " H1'" " H5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 P-O3'-C3' 120.495 0.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.809 " H5'" " H1'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-C2' 107.13 0.936 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.688 ' H8 ' H2'' ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-N19 108.904 1.381 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.589 " C5'" ' HA2' ' A' ' 90' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-C2' 107.477 1.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.772 H5'' ' HB2' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C4'-C3'-C2' 104.525 1.325 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 1.093 H5'' ' HE3' ' A' ' 100' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 106.983 0.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.664 ' OP2' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 P-O3'-C3' 120.937 1.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 CA--C 1.519 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.639 ' HG3' ' HG ' ' A' ' 28' ' ' LEU . 61.5 mm-40 -141.13 162.54 35.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.324 -178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.8 mt -132.4 148.99 52.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.148 172.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.6 t -68.37 117.05 46.0 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.12 -8.01 21.54 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.904 2.403 . . . . 0.0 112.625 -176.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.0 t -87.25 -55.08 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.209 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.49 -16.21 11.94 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -170.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.16 23.47 48.37 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.597 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -102.95 -172.17 2.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 73.5 mmtt -72.52 172.42 10.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.517 HG11 ' HB3' ' A' ' 28' ' ' LEU . 16.4 m -112.91 160.28 12.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.028 0.442 . . . . 0.0 111.1 -178.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.9 t -109.62 10.56 24.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.425 0.631 . . . . 0.0 109.532 179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.61 -171.93 14.0 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.803 -178.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -80.77 105.7 12.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.976 0.417 . . . . 0.0 109.966 -178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.523 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 94.5 m-70 -134.73 130.93 36.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.613 -177.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 65.93 15.72 10.18 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.967 173.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.8 -11.55 27.5 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.603 -0.808 . . . . 0.0 113.466 176.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.23 175.05 9.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 117.072 0.436 . . . . 0.0 111.086 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.639 ' HG ' ' HG3' ' A' ' 11' ' ' GLU . 3.2 mm? -81.58 102.81 10.87 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 172.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 17.2 p -126.34 152.63 45.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.275 -174.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.535 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 1.6 p -96.42 159.66 14.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.161 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.708 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 12.6 tp10 -73.27 -6.84 48.64 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -177.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.918 ' HA ' " H2'" ' C' ' 20' ' ' ' DG' . 22.3 p -74.87 -45.4 43.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.185 0.517 . . . . 0.0 109.693 173.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 74.2 m -77.58 -40.6 41.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.909 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.708 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 49.4 tttm -63.22 -33.01 74.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.676 174.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.56 ' HA2' ' NZ ' ' A' ' 38' ' ' LYS . . . -63.15 -53.33 40.81 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.447 ' HD1' ' OP2' ' C' ' 19' ' ' ' DT' . 80.2 t80 -59.07 -47.04 86.68 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.657 0.269 . . . . 0.0 110.473 176.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.474 ' O ' HG22 ' A' ' 41' ' ' VAL . 42.8 t80 -53.96 -52.43 60.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.087 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.706 ' HG3' ' O ' ' A' ' 34' ' ' LYS . 32.3 mtmm -62.36 -50.63 70.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.77 -178.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.722 ' HG3' ' H71' ' C' ' 19' ' ' ' DT' . 9.1 mmt180 -58.9 -30.39 67.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.768 0.318 . . . . 0.0 111.398 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.951 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 73.5 m -70.63 -54.53 11.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.987 177.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.813 HG21 HG21 ' A' ' 83' ' ' VAL . 12.0 m -65.07 -39.75 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -177.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 38' ' ' LYS . 59.1 mt-30 -55.64 -42.21 74.65 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.616 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.605 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 48.3 m-80 -97.98 -0.23 45.15 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.886 -176.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.78 33.08 15.64 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.181 0.515 . . . . 0.0 109.864 -178.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.951 ' HE2' ' HA ' ' A' ' 40' ' ' THR . 44.2 mtmt -66.38 126.48 28.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.869 -175.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -135.18 120.36 18.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -114.2 177.97 4.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.57 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.6 p -138.58 151.57 47.4 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.883 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 49.7 t -108.85 -27.79 9.54 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.027 -177.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.746 HG22 ' HG3' ' A' ' 51' ' ' GLU . 54.2 m 70.45 146.23 0.06 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.142 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.746 ' HG3' HG22 ' A' ' 50' ' ' THR . 38.6 mt-10 76.48 -91.68 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.837 0.855 . . . . 0.0 111.618 175.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 54' ' ' SER . 33.6 t -90.16 -55.52 3.57 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.54 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 27.3 mt-30 70.72 -17.38 0.29 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.615 0.766 . . . . 0.0 112.222 177.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 52' ' ' SER . 21.5 t -93.64 70.58 4.19 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 176.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.1 m -96.13 149.07 22.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.154 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -80.2 153.39 28.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.11 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.492 HG13 ' HA ' ' A' ' 69' ' ' ARG . 49.1 mm -115.45 110.87 33.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.04 0.448 . . . . 0.0 110.727 -178.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -129.55 -166.32 1.64 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.68 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -54.64 -38.86 67.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.113 0.482 . . . . 0.0 111.268 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.2 p -89.46 -49.51 6.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.091 -176.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -78.56 -2.45 38.91 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -172.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.424 ' HA ' HG23 ' A' ' 57' ' ' ILE . 34.8 ptt180 -67.72 -30.93 70.55 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.405 179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.884 ' HE2' " H4'" ' C' ' 19' ' ' ' DT' . 91.5 mttt -95.98 -8.86 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.668 0.271 . . . . 0.0 111.34 175.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -85.06 -38.9 18.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.671 0.272 . . . . 0.0 111.662 -174.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.496 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 68.8 m -122.98 95.03 46.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.882 0.372 . . . . 0.0 111.524 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 65' ' ' CYS . 26.6 Cg_endo -64.13 -45.73 9.46 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.502 2.135 . . . . 0.0 111.946 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.04 -48.97 79.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.757 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 34.8 m -63.17 -35.59 80.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.646 -178.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.492 ' HA ' HG13 ' A' ' 57' ' ' ILE . 74.8 ttt180 -70.89 -40.88 71.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.869 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -61.48 -49.07 78.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.156 0.503 . . . . 0.0 109.979 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.65 -33.37 75.78 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.528 177.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -59.8 -46.02 90.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.342 . . . . 0.0 110.371 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.501 ' O ' HG22 ' A' ' 76' ' ' VAL . 64.2 m -59.64 -44.37 93.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.241 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -71.21 -31.29 67.41 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.313 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 49.2 m -58.6 -49.49 77.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.802 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 73' ' ' CYS . 16.4 m -67.24 -18.62 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.329 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 109.16 21.95 7.1 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.174 -1.013 . . . . 0.0 113.071 175.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 73' ' ' CYS . 85.7 mtp -65.96 109.8 2.67 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 173.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -58.25 109.92 0.85 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.783 -173.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.3 tp -71.41 -31.76 67.63 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.704 178.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.731 ' HG3' ' HZ ' ' A' ' 95' ' ' PHE . 10.6 pt-20 -78.13 -2.28 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.424 177.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.92 -38.73 19.03 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 120.851 0.358 . . . . 0.0 110.693 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.813 HG21 HG21 ' A' ' 41' ' ' VAL . 4.0 p -78.49 113.89 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-O 121.692 0.758 . . . . 0.0 110.676 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -104.05 103.29 13.09 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.186 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 42' ' ' GLN . . . -76.01 1.48 15.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.175 -170.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.63 -82.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.047 177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.698 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 11.1 tpt180 -172.96 31.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.506 0.67 . . . . 0.0 109.644 172.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.669 ' O ' H5'' ' B' ' 8' ' ' ' DG' . 71.7 mmm -96.73 105.08 17.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.056 0.455 . . . . 0.0 110.589 -178.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.714 ' HA ' " C5'" ' B' ' 8' ' ' ' DG' . 14.7 mtm180 -80.75 59.86 3.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.462 -175.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.688 ' HA2' " H4'" ' B' ' 7' ' ' ' DG' . . . 128.1 -128.09 5.91 Favored Glycine 0 N--CA 1.44 -1.078 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.993 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.72 ' HA2' " H4'" ' C' ' 27' ' ' ' DA' . . . 92.58 62.55 1.14 Allowed Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.761 ' HB3' H5'' ' C' ' 28' ' ' ' DG' . 32.0 ttm180 -81.17 86.14 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -136.93 -56.6 0.72 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.037 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -61.82 -34.13 75.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.107 0.479 . . . . 0.0 110.758 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.731 ' HZ ' ' HG3' ' A' ' 81' ' ' GLU . 72.2 m-85 -100.79 11.13 40.19 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.723 -177.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.449 ' O ' ' HG2' ' A' ' 100' ' ' LYS . . . -50.62 -64.22 3.85 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 116.065 -0.516 . . . . 0.0 113.465 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.63 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 36.1 Cg_exo -58.23 -48.26 16.57 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.748 2.298 . . . . 0.0 113.387 -177.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -71.64 -34.31 69.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -174.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.436 ' OH ' H5'' ' B' ' 6' ' ' ' DA' . 83.6 t80 -69.6 -48.12 61.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.661 0.267 . . . . 0.0 110.357 -178.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.63 ' HE2' ' HA ' ' A' ' 97' ' ' PRO . 62.8 pttt -68.15 -33.94 75.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.501 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.592 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 45.4 ttm180 -64.71 -57.18 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.766 -178.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.47 -41.58 90.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.388 . . . . 0.0 110.916 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -65.03 -39.08 92.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.033 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.44 -37.3 60.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 71.4 mt -63.6 -38.17 90.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.776 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -66.81 -29.46 69.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.595 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -80.05 -65.98 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.096 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 53.92 34.97 20.69 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.278 -170.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -84.05 -25.52 29.79 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.504 -178.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -67.75 102.18 1.17 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.482 174.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.155 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.21 177.872 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.431 ' C6 ' ' C6 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.432 -0.517 0 O5'-C5'-C4' 111.866 1.19 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.672 H2'' ' C5 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-N19 108.68 1.099 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.979 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 O4'-C1'-N19 108.26 0.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.979 ' H71' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 107.12 0.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.728 " H5'" " H1'" ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-N19 109.079 1.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.569 ' OP2' H2'' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.243 1.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.688 " H4'" ' HA2' ' A' ' 90' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C4'-C3'-C2' 104.543 1.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.714 " C5'" ' HA ' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-C2' 107.54 1.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.698 H5'' ' HD2' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 P-O3'-C3' 121.599 1.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.638 ' C6 ' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C4'-C3' 106.575 0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.613 H2'' ' C8 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 O4'-C1'-C2' 107.479 1.254 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.613 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 101.197 -1.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.88 H2'' ' C8 ' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 107.022 0.838 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.88 ' C8 ' H2'' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C4'-C3'-C2' 102.617 -0.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.692 ' OP2' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 O4'-C1'-C2' 107.494 1.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.403 HO5' ' H6 ' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O5'-C5'-C4' 111.526 0.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.487 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-C2' 104.306 1.106 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.935 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-N19 108.628 1.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.935 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O4'-C1'-C2' 107.38 1.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 1.023 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-N19 109.118 1.647 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 1.023 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 P-O3'-C3' 120.796 0.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.633 ' C6 ' H2'' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 O4'-C4'-C3' 106.363 0.763 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.489 ' C5 ' ' C2 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 P-O3'-C3' 120.734 0.862 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.669 " H1'" " H5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.264 1.059 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.721 " H1'" " O4'" ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C3'-C2'-C1' 104.64 1.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.721 " O4'" " H1'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C4'-C3'-C2' 104.326 1.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.72 " H4'" ' HA2' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C3'-C2'-C1' 104.666 1.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.761 H5'' ' HB3' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 P-O3'-C3' 120.981 1.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 0.558 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C4'-C3'-C2' 104.317 1.117 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.558 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-C2' 106.992 0.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 N--CA 1.461 0.117 0 CA-C-O 121.079 0.466 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HG3' HD22 ' A' ' 28' ' ' LEU . 26.1 mm-40 -68.51 145.04 54.39 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.303 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.5 mt -111.36 147.14 35.81 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.751 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -71.85 114.56 29.8 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.884 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.78 7.46 1.97 Allowed 'Trans proline' 0 CA--C 1.528 0.223 0 C-N-CA 122.639 2.226 . . . . 0.0 113.042 -175.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.5 t -95.7 -62.11 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.036 175.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.8 p -99.66 -16.11 18.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.006 -174.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.43 0.13 82.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.194 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -80.98 -177.26 6.34 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB3' ' HE2' ' A' ' 19' ' ' LYS . 45.6 mtpt -82.08 156.17 24.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.702 0.287 . . . . 0.0 110.438 178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 19.8 m -93.37 158.78 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.503 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.1 p -108.04 -7.48 16.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.331 0.586 . . . . 0.0 109.917 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.26 -172.18 29.35 Favored Glycine 0 N--CA 1.445 -0.717 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.98 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -80.61 112.67 18.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.926 0.393 . . . . 0.0 110.023 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.577 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 50.6 m-70 -130.49 140.53 50.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' A' ' 24' ' ' HIS . 42.3 m-85 69.37 -79.39 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.567 0.542 . . . . 0.0 111.277 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.21 21.06 0.56 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.537 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -175.68 -175.93 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.479 HD22 ' HG3' ' A' ' 11' ' ' GLU . 7.0 mp -81.63 118.99 23.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.326 0.584 . . . . 0.0 110.243 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 1.7 p -138.54 -171.38 3.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.872 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.5 p -131.01 156.14 45.64 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.32 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.639 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 3.6 mp0 -57.23 -23.41 47.79 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.978 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.9 t -61.18 -57.06 14.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.68 0.276 . . . . 0.0 110.366 177.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 62.0 m -71.7 -39.87 69.91 Favored 'General case' 0 C--O 1.223 -0.291 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.639 ' HB3' ' HA ' ' A' ' 31' ' ' GLU . 74.9 tttt -47.15 -56.07 7.3 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.563 0.697 . . . . 0.0 111.154 173.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.13 -42.89 66.04 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.557 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -60.52 -44.13 96.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.781 0.324 . . . . 0.0 110.571 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.512 ' O ' HG22 ' A' ' 41' ' ' VAL . 13.2 t80 -58.18 -49.71 76.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.228 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.482 ' HE3' " H2'" ' B' ' 8' ' ' ' DG' . 26.2 mtmm -62.94 -44.67 95.42 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.445 177.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.6 mtm-85 -64.95 -18.0 64.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.653 ' HA ' ' HD3' ' A' ' 45' ' ' LYS . 51.0 m -85.61 -49.1 8.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.861 0.362 . . . . 0.0 110.622 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.695 HG21 HG11 ' A' ' 83' ' ' VAL . 14.5 m -70.51 -39.97 76.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -56.27 -40.44 74.24 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.677 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 89.8 m-20 -92.3 4.67 52.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.683 -175.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 60.99 33.72 19.63 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 121.236 0.541 . . . . 0.0 110.091 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.677 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 55.2 mtpt -73.38 120.55 19.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.318 -174.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -120.88 151.69 39.36 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.544 175.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.723 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 79.0 m-85 -139.77 170.61 15.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.235 0.54 . . . . 0.0 111.372 -175.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 57.9 m -144.95 95.13 2.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.709 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.712 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 39.0 t -73.5 -14.9 61.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.428 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.619 HG22 ' HG3' ' A' ' 51' ' ' GLU . 14.3 m 75.39 145.91 0.09 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.705 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.619 ' HG3' HG22 ' A' ' 50' ' ' THR . 41.1 mt-10 70.96 -85.4 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.904 174.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.7 p -93.62 -33.5 13.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.685 0.279 . . . . 0.0 110.831 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.712 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 53.2 mt-30 64.67 9.75 5.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.798 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 p -151.56 85.72 1.32 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.42 0.629 . . . . 0.0 110.289 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 60.6 m -87.62 176.42 7.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.751 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -71.14 101.85 2.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.691 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.537 HD11 ' HB2' ' A' ' 68' ' ' CYS . 37.9 mm -75.58 95.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -130.38 -171.87 2.66 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.31 -0.859 . . . . 0.0 108.995 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -56.52 -33.72 66.33 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 122.61 0.364 . . . . 0.0 111.721 -176.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.4 p -89.01 -25.78 21.81 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -115.24 -0.11 13.34 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -170.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -66.84 -31.07 71.45 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -176.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HE3' " O3'" ' C' ' 19' ' ' ' DT' . 58.2 mttp -95.82 -11.28 27.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.604 0.24 . . . . 0.0 111.275 176.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.407 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 81.9 mtt180 -84.65 -37.18 21.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.581 -174.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.4 m -113.99 93.39 29.62 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-O 120.788 0.327 . . . . 0.0 111.27 -179.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 64' ' ' ARG . 20.3 Cg_exo -66.05 -44.23 7.73 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.604 2.202 . . . . 0.0 111.757 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.723 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 32.1 t80 -64.83 -46.46 81.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 120.953 0.406 . . . . 0.0 110.586 -179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.537 ' HB2' HD11 ' A' ' 57' ' ' ILE . 55.9 m -61.08 -36.0 78.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.749 -179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -74.93 -37.25 62.06 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.514 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -58.28 -53.91 52.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.161 0.505 . . . . 0.0 109.696 174.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.96 -34.3 71.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.365 177.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.512 ' O ' ' HB ' ' A' ' 75' ' ' THR . 0.0 OUTLIER -65.72 -37.5 86.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 178.477 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 84.8 m -60.06 -50.5 73.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mp -60.66 -38.64 85.53 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.93 175.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.512 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 53.7 m -51.99 -52.33 51.25 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.834 178.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.4 m -75.79 -28.92 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.092 -171.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.13 10.26 1.16 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 119.973 -1.108 . . . . 0.0 113.434 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 75.7 mtp -81.81 109.19 15.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -89.18 147.05 24.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.376 -169.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.9 mt -71.64 -37.29 70.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.727 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.472 ' HB2' ' HZ1' ' A' ' 94' ' ' LYS . 10.6 pt-20 -77.28 2.74 14.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.985 178.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.34 4.26 41.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.314 0.578 . . . . 0.0 109.622 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.695 HG11 HG21 ' A' ' 41' ' ' VAL . 90.7 t -90.11 114.5 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.97 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.514 ' HD2' " H4'" ' B' ' 8' ' ' ' DG' . 32.6 ttm180 -84.63 86.36 7.32 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.937 170.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.18 -2.02 57.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.098 -179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.91 -71.26 0.48 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.823 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 0.0 OUTLIER 176.43 141.6 0.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.943 175.68 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.94 ' H ' H5'' ' B' ' 9' ' ' ' DG' . 10.8 tpt -66.92 91.84 0.21 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.052 0.453 . . . . 0.0 109.926 174.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.898 ' HA ' H5'' ' C' ' 26' ' ' ' DG' . 68.1 mtm180 -146.17 -46.03 0.2 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.042 -175.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.4 ' O ' H5'' ' C' ' 27' ' ' ' DA' . . . -92.6 -178.6 40.99 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.635 -175.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.978 ' HA2' H5'' ' C' ' 27' ' ' ' DA' . . . -78.91 157.25 43.21 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.445 -0.407 . . . . 0.0 112.819 -176.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.763 ' HG3' " H4'" ' C' ' 27' ' ' ' DA' . 41.4 mtp180 -88.0 87.91 7.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.88 0.371 . . . . 0.0 110.342 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -86.46 -49.05 7.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.914 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.526 ' HZ3' ' HB3' ' A' ' 94' ' ' LYS . 7.6 mtpm? -57.51 -65.37 0.64 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.32 -174.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -97.66 51.69 1.07 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.321 0.582 . . . . 0.0 110.578 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.98 -73.39 1.19 Allowed Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.121 173.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.407 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 47.1 Cg_exo -58.08 -56.26 1.74 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.489 2.792 . . . . 0.0 113.384 -177.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 23.6 ptm -57.84 -31.75 66.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.901 0.381 . . . . 0.0 110.887 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -72.83 -51.35 19.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.835 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 97' ' ' PRO . 19.7 ptpt -59.63 -40.94 89.26 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.559 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.562 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 99.3 mtt180 -65.7 -56.66 10.87 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.91 -42.73 90.35 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.013 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.684 ' NH1' H5'' ' B' ' 6' ' ' ' DA' . 50.2 ttp180 -63.92 -39.31 93.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.637 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.823 ' HA ' HE21 ' A' ' 107' ' ' GLN . . . -70.33 -39.01 74.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.011 0.434 . . . . 0.0 110.931 178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 78.6 mt -74.32 -23.78 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -80.55 -30.84 37.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.707 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.823 HE21 ' HA ' ' A' ' 104' ' ' ALA . 29.6 pt20 -87.72 -6.87 58.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.203 0.525 . . . . 0.0 110.178 177.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -71.36 146.93 48.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.578 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.876 ' HE2' ' HA ' ' A' ' 109' ' ' LYS . 8.7 mmpt? -55.06 -71.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.539 0.209 . . . . 0.0 111.235 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -128.01 149.0 50.55 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.344 -179.266 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.612 H2'' ' H8 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O5'-C5'-C4' 111.529 0.95 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.883 H2'' ' C5 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-N19 109.017 1.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.883 ' C5 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C1'-O4'-C4' 110.354 0.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.646 " H5'" " H1'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C4'-C3'-C2' 102.511 -0.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.615 ' C5 ' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C1'-O4'-C4' 110.426 0.518 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.684 H5'' ' NH1' ' A' ' 103' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 P-O3'-C3' 120.945 1.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.754 " H1'" " H5'" ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C4'-C3' 106.559 0.959 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.754 " H5'" " H1'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 104.514 1.296 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.94 H5'' ' H ' ' A' ' 88' ' ' MET . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C4'-C3'-C2' 102.425 -0.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.513 H2'' ' OP2' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C3'-C2'-C1' 101.573 -0.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.513 ' OP2' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 104.572 1.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.631 " H1'" " H5'" ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 P-O3'-C3' 120.47 0.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.638 H2'' ' OP2' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-C2' 107.294 1.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.638 ' OP2' H2'' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.543 1.312 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.404 ' H8 ' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C4'-C3'-C2' 104.323 1.123 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.671 ' H6 ' " O5'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O5'-C5'-C4' 111.697 1.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.651 H2'' ' H8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 P-O3'-C3' 121.056 1.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.651 ' H8 ' H2'' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-C2' 104.596 -1.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.675 " H1'" " H5'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 107.505 1.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.792 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C4'-C3' 106.615 1.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.792 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C1'-C2' 106.92 0.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.705 " H5'" " H1'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-C2' 107.012 0.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.594 H2'' ' C5 ' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-N19 108.515 0.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.594 ' C5 ' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 P-O3'-C3' 120.576 0.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.907 " H1'" " H5'" ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 107.618 1.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.907 " H5'" " H1'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C1'-C2' 104.577 -1.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.978 H5'' ' HA2' ' A' ' 91' ' ' GLY . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C1'-C2' 107.588 1.353 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.878 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 P-O3'-C3' 120.545 0.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 0.749 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C4'-C3' 106.34 0.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.749 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-N19 108.278 0.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 CA--C 1.517 -0.311 0 CA-C-O 121.286 0.565 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' HG22 ' A' ' 20' ' ' VAL . 31.2 mt-10 -105.32 149.9 25.65 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.306 -178.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 17' ' ' GLY . 5.7 mp -111.5 159.89 17.66 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.427 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.454 ' HB2' ' H ' ' A' ' 17' ' ' GLY . 75.2 m -62.99 131.37 94.67 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.812 -175.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -70.08 -4.6 14.58 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.959 2.439 . . . . 0.0 112.386 176.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.685 HG13 ' H ' ' A' ' 16' ' ' CYS . 2.0 p -104.04 -74.3 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.624 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.685 ' H ' HG13 ' A' ' 15' ' ' VAL . 25.0 p -80.15 -53.54 6.59 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.538 -176.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.485 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 126.19 -1.02 7.7 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.385 -0.912 . . . . 0.0 113.238 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.446 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 21.4 m-20 -75.02 155.1 37.66 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 117.323 0.561 . . . . 0.0 109.88 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -63.81 136.79 57.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 176.303 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 11' ' ' GLU . 27.0 m -72.94 148.0 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 111.881 -173.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.6 t -108.29 -0.27 20.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.096 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' LEU . . . 135.34 -165.51 24.69 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.291 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -80.95 111.78 17.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.493 0.187 . . . . 0.0 110.575 -178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.74 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 38.1 m-70 -133.22 115.55 15.13 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.705 177.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.742 ' CE1' " H3'" ' B' ' 7' ' ' ' DG' . 59.5 m-85 71.42 1.19 3.75 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.867 0.729 . . . . 0.0 112.733 168.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.15 -60.11 0.19 Allowed Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.987 -179.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.47 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -146.95 -165.22 2.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.776 0.322 . . . . 0.0 111.14 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.538 HD11 ' HE3' ' A' ' 106' ' ' LYS . 31.5 mt -58.08 112.08 1.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.685 178.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.74 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 15.9 p -138.55 161.57 36.73 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.401 177.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 32' ' ' SER . 32.0 p -90.25 171.56 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.432 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 27.2 mm-40 -70.54 -18.81 62.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.127 178.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.579 ' HB2' ' OP2' ' C' ' 21' ' ' ' DG' . 19.9 t -69.5 -44.76 70.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 174.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 79.4 m -61.5 -51.56 68.15 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.214 0.53 . . . . 0.0 109.618 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 30.8 tttm -59.06 -46.24 88.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.673 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 39' ' ' ARG . . . -62.87 -48.73 78.53 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.951 -0.643 . . . . 0.0 112.346 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -64.19 -37.05 86.08 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.43 -45.04 94.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.263 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 42' ' ' GLN . 6.4 mtmp? -62.37 -45.16 94.4 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.226 176.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 35' ' ' GLY . 96.1 mtt-85 -59.4 -34.03 71.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 -178.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.7 m -78.63 -57.72 3.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.268 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.8 t -67.54 -46.69 82.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -173.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.546 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 39.6 mt-30 -67.38 -32.04 72.69 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -91.99 0.46 57.47 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.783 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 54.0 45.13 28.26 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.606 0.566 . . . . 0.0 110.73 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -77.59 155.93 31.18 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.71 -175.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -134.68 146.43 49.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.86 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -132.18 168.2 18.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.883 0.373 . . . . 0.0 110.611 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.8 m -154.91 122.86 5.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.39 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.727 ' HB3' ' HA ' ' A' ' 53' ' ' GLN . 50.2 t -99.01 138.27 36.35 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.1 m -95.09 -13.61 24.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.125 0.488 . . . . 0.0 110.875 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.578 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 8.5 mm-40 -78.96 -81.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.58 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 54' ' ' SER . 9.3 t -142.96 16.73 1.94 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.831 0.348 . . . . 0.0 110.618 -176.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.727 ' HA ' ' HB3' ' A' ' 49' ' ' CYS . 46.5 mt-30 70.37 -33.78 0.27 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.345 0.658 . . . . 0.0 111.94 -178.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 52' ' ' SER . 25.2 m -129.85 89.0 2.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.385 0.612 . . . . 0.0 109.765 175.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 51' ' ' GLU . 50.0 m -89.3 -175.36 4.73 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.796 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -63.85 141.2 58.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.932 175.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.8 mm -105.96 122.32 59.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.092 0.472 . . . . 0.0 109.96 178.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.562 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 24.1 t70 -150.78 179.57 8.1 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 -174.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -58.25 -41.25 83.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.28 0.363 . . . . 0.0 111.096 -177.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.1 t -88.6 -36.5 16.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.112 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.562 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 30.7 mm-40 -64.29 -31.26 72.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.828 -175.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.483 ' HB2' ' HD2' ' A' ' 69' ' ' ARG . 37.4 ptt180 -68.63 -14.83 63.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.376 -178.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.782 ' HE3' H5'' ' C' ' 19' ' ' ' DT' . 50.8 mtpt -95.76 -41.66 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.061 0.458 . . . . 0.0 109.918 174.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.494 ' HD2' ' NE2' ' A' ' 61' ' ' GLN . 61.5 mtt180 -65.71 -42.73 90.77 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.078 -178.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.611 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 94.9 m -120.38 81.07 30.08 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.982 178.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.45 -26.79 47.34 Favored 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.382 2.055 . . . . 0.0 111.249 176.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -65.2 -50.41 66.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.068 177.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.611 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 34.7 m -60.79 -41.25 95.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.207 0.527 . . . . 0.0 110.246 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HD2' ' HB2' ' A' ' 62' ' ' ARG . 74.4 ttt180 -60.85 -52.67 64.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.66 177.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -60.06 -45.91 91.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.956 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -56.72 -43.53 80.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.192 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.674 ' HA ' ' HB ' ' A' ' 75' ' ' THR . 34.4 ttmt -72.08 -27.45 62.67 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.999 -179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 78.5 m -56.9 -51.06 70.59 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.7 mp -66.82 -31.61 72.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 0.0 110.56 174.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.674 ' HB ' ' HA ' ' A' ' 72' ' ' LYS . 35.5 m -58.88 -48.32 81.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.861 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.53 -23.76 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.573 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.67 7.29 2.14 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.073 -1.06 . . . . 0.0 113.901 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.513 ' SD ' HG21 ' A' ' 29' ' ' THR . 85.1 mtp -75.69 135.89 40.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.397 0.599 . . . . 0.0 110.147 177.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -118.05 149.32 41.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.291 -176.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.6 mt -75.57 -30.68 59.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.416 -177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -56.79 -25.61 55.96 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.951 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.54 -25.95 62.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.069 0.462 . . . . 0.0 110.717 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.447 HG22 ' CE1' ' A' ' 25' ' ' TYR . 46.0 t -78.84 106.56 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.373 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.445 ' HE ' ' HA2' ' A' ' 91' ' ' GLY . 79.9 mtt-85 -86.27 82.23 8.09 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.29 -4.97 6.05 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -170.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.5 -89.87 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.642 ' HD2' H5'' ' B' ' 9' ' ' ' DG' . 15.1 tpp180 -163.12 27.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 172.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.539 ' O ' H5'' ' B' ' 8' ' ' ' DG' . 17.0 mmt -89.43 114.7 26.2 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.324 -177.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.591 ' HB3' ' N2 ' ' B' ' 7' ' ' ' DG' . 26.7 mtp180 -91.18 36.58 0.92 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.342 -170.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.523 ' O ' " H4'" ' C' ' 27' ' ' ' DA' . . . -162.87 104.87 0.24 Allowed Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.067 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.493 ' HA3' " H5'" ' B' ' 7' ' ' ' DG' . . . -97.15 39.25 2.83 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.942 -178.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.618 ' HD2' ' O2 ' ' B' ' 5' ' ' ' DC' . 37.9 mtp180 -86.0 178.15 7.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.6 -0.353 . . . . 0.0 110.746 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.463 ' HB2' " C5'" ' C' ' 28' ' ' ' DG' . 65.4 t30 72.01 -52.56 0.7 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.017 0.927 . . . . 0.0 111.917 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -55.47 -48.98 73.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.931 0.396 . . . . 0.0 110.63 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.536 ' O ' ' HG2' ' A' ' 98' ' ' MET . 90.2 m-85 -117.72 13.77 14.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.319 0.581 . . . . 0.0 109.778 174.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.87 -47.85 58.44 Favored Glycine 0 CA--C 1.528 0.851 0 CA-C-N 115.287 -0.869 . . . . 0.0 114.097 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -51.62 -43.46 50.51 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.802 2.335 . . . . 0.0 113.482 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.536 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 28.5 ptm -73.86 -30.17 62.51 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.742 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.498 ' HB3' ' OP1' ' B' ' 6' ' ' ' DA' . 22.6 m-85 -67.56 -47.8 68.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.964 0.411 . . . . 0.0 110.69 179.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -71.33 -31.44 67.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.001 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.448 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 58.9 ttt180 -67.5 -46.06 74.03 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.188 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.11 -38.73 92.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.204 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.448 ' HD2' ' OE1' ' A' ' 107' ' ' GLN . 18.5 tpp85 -58.63 -44.13 89.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.246 175.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.94 -24.41 64.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.203 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 93.3 mt -77.74 -45.67 24.01 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.818 0.342 . . . . 0.0 110.721 177.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.538 ' HE3' HD11 ' A' ' 28' ' ' LEU . 66.3 mttm -67.97 -46.94 69.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.866 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.448 ' OE1' ' HD2' ' A' ' 103' ' ' ARG . 15.6 mt-30 -75.68 -48.81 20.45 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.218 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 62.04 -78.98 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.928 0.768 . . . . 0.0 111.909 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -105.92 95.2 5.62 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.668 ' HD3' ' H ' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -90.92 -11.6 38.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.807 -177.254 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.571 -0.728 . . . . 0.0 109.859 178.786 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.54 H2'' ' OP2' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O5'-C5'-C4' 111.608 1.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.756 " H1'" " H5'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O4'-C1'-C2' 107.087 0.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.756 " H5'" " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-C2' 106.961 0.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 1.06 " H1'" " H5'" ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C4'-C3'-C2' 104.447 1.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 1.06 " H5'" " H1'" ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-C2' 107.436 1.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.616 " H4'" ' HG2' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 104.378 1.178 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.777 " H1'" " H5'" ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C4'-C3'-C2' 102.472 -0.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.777 " H5'" " H1'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C4'-C3'-C2' 102.354 -0.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.653 ' OP2' H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 102.628 -0.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.909 " H1'" " H5'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 P-O3'-C3' 120.695 0.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.909 " H5'" " H1'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-C1' 104.939 1.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.477 H2'' ' OP2' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 P-O3'-C3' 120.737 0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.477 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C4'-C3'-C2' 104.291 1.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.838 H2'' ' C8 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 O4'-C4'-C3' 104.488 -1.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.838 ' C8 ' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 P-O3'-C3' 120.382 0.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.542 H2'' ' H71' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 O5'-C5'-C4' 111.833 1.166 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.542 ' H71' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-N19 108.488 0.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.807 " H1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.709 0 C4'-C3'-C2' 102.654 -0.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.807 " H5'" " H1'" ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 P-O3'-C3' 121.332 1.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C4'-C3'-C2' 104.458 1.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.579 ' OP2' ' HB2' ' A' ' 32' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 P-O3'-C3' 120.819 0.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.619 H2'' ' C6 ' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 P-O3'-C3' 120.911 1.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.764 " H1'" " H5'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-N19 108.6 1.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.764 " H5'" " H1'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-C2' 107.348 1.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.725 ' C6 ' H2'' ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C4'-C3'-C2' 104.418 1.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.943 " H1'" " H5'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-N19 108.654 1.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.943 " H5'" " H1'" ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.575 1.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.705 H2'' ' OP2' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 105.058 -0.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 0.705 ' OP2' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 P-O3'-C3' 120.915 1.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.7 ' C6 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C4'-C3'-C2' 104.071 0.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' HG22 ' A' ' 20' ' ' VAL . 42.4 mt-10 -142.69 149.43 38.83 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.075 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.0 mp -121.0 155.87 33.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.901 -176.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.6 m -60.69 139.26 93.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.0 2.66 5.23 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.705 2.27 . . . . 0.0 112.568 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.696 HG13 ' H ' ' A' ' 16' ' ' CYS . 1.5 p -113.17 -76.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.468 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.696 ' H ' HG13 ' A' ' 15' ' ' VAL . 31.7 p -78.38 -31.67 48.53 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.559 -175.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.422 ' O ' HD23 ' A' ' 12' ' ' LEU . . . 89.02 38.08 6.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.914 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.627 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 59.8 m-20 -110.34 157.58 19.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 117.022 0.411 . . . . 0.0 110.65 176.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 30' ' ' CYS . 8.6 mmmt -51.69 120.04 4.82 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.756 0.66 . . . . 0.0 111.397 176.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 11' ' ' GLU . 3.8 m -62.61 135.85 26.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.869 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.5 t -98.95 -33.99 10.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.669 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.63 -170.56 38.22 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.769 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -77.32 108.78 10.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.732 0.301 . . . . 0.0 110.687 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.572 ' HB2' ' OG1' ' A' ' 29' ' ' THR . 43.1 m-70 -132.77 122.3 24.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.739 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' HE1' ' HB ' ' A' ' 83' ' ' VAL . 92.4 m-85 69.78 -8.61 0.77 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.859 0.864 . . . . 0.0 113.235 169.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.1 -43.18 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.022 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -160.12 -168.31 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.722 0.261 . . . . 0.0 110.549 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.47 108.58 0.65 Allowed 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.733 0.645 . . . . 0.0 111.266 174.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.572 ' OG1' ' HB2' ' A' ' 24' ' ' HIS . 7.1 p -136.58 164.18 28.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.961 176.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 18' ' ' ASP . 21.2 p -93.21 176.68 6.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.267 178.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -72.41 -19.8 61.54 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.722 ' OG ' " H3'" ' C' ' 20' ' ' ' DG' . 1.2 m -60.54 -47.75 84.79 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.093 174.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 82.3 m -64.8 -53.13 51.77 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.713 176.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.466 ' HE2' ' N7 ' ' B' ' 8' ' ' ' DG' . 26.4 tttm -52.09 -48.73 64.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.113 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.77 -48.26 62.55 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.911 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -64.09 -40.36 96.06 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.018 0.437 . . . . 0.0 110.645 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.63 ' O ' HG22 ' A' ' 41' ' ' VAL . 23.9 t80 -57.94 -50.25 74.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.005 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.525 ' NZ ' H2'' ' B' ' 8' ' ' ' DG' . 37.9 mtmt -61.25 -44.17 97.68 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.729 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.514 ' O ' ' HB2' ' A' ' 43' ' ' ASN . 75.1 mtp180 -58.95 -33.03 70.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 110.659 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.43 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 26.6 m -73.78 -60.72 2.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.972 178.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.718 HG21 HG21 ' A' ' 83' ' ' VAL . 15.7 m -63.71 -48.69 85.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -173.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.786 ' HG2' ' HA ' ' A' ' 85' ' ' ALA . 68.3 mt-30 -73.04 -33.71 65.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.958 0.408 . . . . 0.0 112.019 -172.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 1.0 OUTLIER -84.19 2.48 39.54 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.007 179.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 58.26 42.58 21.56 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.536 0.684 . . . . 0.0 110.324 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 40' ' ' THR . 96.3 mttt -93.96 145.54 24.56 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.151 -176.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -137.26 130.11 30.39 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -105.48 176.59 5.11 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.861 0.362 . . . . 0.0 110.623 -175.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -137.25 -177.6 4.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.016 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.417 ' SG ' ' HA ' ' A' ' 53' ' ' GLN . 52.7 t -122.87 156.63 34.23 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.151 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.412 HG23 ' HG3' ' A' ' 51' ' ' GLU . 14.7 t -109.58 3.65 21.35 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.229 0.538 . . . . 0.0 110.249 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.685 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 37.5 mt-10 -128.61 -145.45 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.026 -177.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 m -84.39 19.52 1.89 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HA ' ' SG ' ' A' ' 49' ' ' CYS . 55.8 mt-30 74.09 -51.35 0.69 Allowed 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.489 0.715 . . . . 0.0 112.143 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 p -88.06 70.19 9.34 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.743 0.782 . . . . 0.0 110.104 177.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.685 ' SG ' ' HB2' ' A' ' 51' ' ' GLU . 53.5 m -84.13 -176.65 6.36 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.719 -177.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 56' ' ' LYS . 73.0 mmtt -91.78 116.22 28.71 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.972 174.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.4 mm -82.59 103.23 9.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.429 0.633 . . . . 0.0 109.859 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.618 ' H ' ' HB2' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -119.23 176.71 5.19 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.223 -179.223 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -62.98 -37.4 86.99 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.993 0.425 . . . . 0.0 110.814 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.4 t -88.94 -35.08 16.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 177.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.618 ' HB2' ' H ' ' A' ' 58' ' ' ASP . 82.7 mm-40 -70.94 -24.3 62.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.693 0.282 . . . . 0.0 111.56 -175.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -70.25 -15.67 62.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -176.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.854 ' HE2' H5'' ' C' ' 19' ' ' ' DT' . 91.4 mttt -96.01 -11.43 26.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 0.0 110.831 174.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HD2' ' OE1' ' A' ' 61' ' ' GLN . 73.0 mtt180 -91.46 -43.29 9.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.278 0.561 . . . . 0.0 110.013 -177.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.681 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 65.5 m -116.15 84.05 13.39 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.205 175.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.99 -33.72 50.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.662 2.241 . . . . 0.0 111.611 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -64.38 -46.54 82.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.517 178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 32.9 m -61.18 -38.85 87.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.188 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -62.3 -51.99 65.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.133 176.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 73' ' ' CYS . 84.3 t80 -59.72 -49.91 75.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.053 -179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.43 ' C ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER -63.43 -31.33 72.46 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.897 -176.171 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.537 ' O ' ' HB ' ' A' ' 75' ' ' THR . 39.2 ttmt -74.3 -27.97 60.96 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.577 175.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 83.3 m -57.94 -43.61 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.501 ' HA ' ' O ' ' A' ' 78' ' ' MET . 6.9 mp -66.84 -36.53 82.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.439 . . . . 0.0 110.272 174.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.537 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 28.3 m -55.42 -48.32 74.58 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.758 176.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.74 -17.98 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -175.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.71 -1.54 3.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 119.972 -1.109 . . . . 0.0 114.161 173.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.501 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 86.2 mtp -75.31 120.86 21.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.547 0.674 . . . . 0.0 110.389 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -109.54 158.0 18.45 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.117 0.484 . . . . 0.0 111.896 -175.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 74' ' ' LEU . 2.3 mm? -76.34 -21.1 56.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.324 -176.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -70.62 -21.94 62.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.881 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.95 0.46 44.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.233 -176.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.718 HG21 HG21 ' A' ' 41' ' ' VAL . 6.1 p -129.67 139.17 52.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.042 0.449 . . . . 0.0 110.284 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -122.79 135.32 54.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.572 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.786 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . . . -85.6 -22.73 27.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.301 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 61.5 m-20 -66.04 -88.04 0.01 OUTLIER 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.903 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 1.6 tpp180 175.86 99.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.984 174.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.58 ' O ' " H5'" ' B' ' 8' ' ' ' DG' . 13.3 tmm? -150.34 107.87 3.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.635 ' HD2' ' H21' ' B' ' 7' ' ' ' DG' . 73.0 mtm180 -108.78 26.47 10.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.765 -174.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.559 ' HA2' " H1'" ' C' ' 26' ' ' ' DG' . . . -72.64 -23.85 77.19 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.467 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.651 ' HA2' " O4'" ' B' ' 7' ' ' ' DG' . . . 78.04 -73.71 2.11 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.214 -0.517 . . . . 0.0 113.559 175.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.626 ' HD2' " H1'" ' B' ' 5' ' ' ' DC' . 78.4 mtp180 -67.22 108.87 2.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.338 0.589 . . . . 0.0 111.061 -175.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -137.19 -141.81 0.16 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.485 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -48.53 -44.23 36.13 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -175.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.479 ' O ' ' HG2' ' A' ' 98' ' ' MET . 67.4 m-85 -91.8 5.49 49.68 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.607 -174.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -51.95 -51.78 38.42 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.222 -0.513 . . . . 0.0 113.23 179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -52.52 -43.4 55.08 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.979 2.453 . . . . 0.0 113.643 177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.479 ' HG2' ' O ' ' A' ' 95' ' ' PHE . 25.1 ptm -71.86 -31.44 66.48 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.972 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.766 ' HD2' H5'' ' B' ' 6' ' ' ' DA' . 24.9 m-85 -64.32 -53.3 50.96 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-O 120.808 0.337 . . . . 0.0 110.257 178.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -67.11 -32.46 73.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.46 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 15.0 ttm180 -67.73 -53.82 24.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.325 -179.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -61.05 -35.38 76.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.842 0.353 . . . . 0.0 110.188 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.8 ttt-85 -64.87 -46.26 82.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.631 178.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.71 88.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.019 0.438 . . . . 0.0 110.714 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 68.8 mt -67.45 -40.52 85.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.375 177.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -64.54 -41.79 96.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.394 177.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -84.02 11.63 7.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.699 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 50.0 tp60 -63.32 -32.32 73.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.071 0.463 . . . . 0.0 109.98 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -84.16 146.92 27.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.021 175.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -70.04 118.73 13.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.467 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.448 -0.786 . . . . 0.0 109.897 179.819 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 O5'-C5'-C4' 111.36 0.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.665 H2'' ' C5 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 109.136 1.67 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.665 ' C5 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-C2' 107.399 1.181 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.524 ' H71' " H2'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C4'-C3'-C2' 104.641 1.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.626 " H1'" ' HD2' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-N19 108.517 0.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.766 H5'' ' HD2' ' A' ' 99' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C4'-C3'-C2' 104.26 1.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.699 ' OP2' H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 P-O3'-C3' 121.565 1.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.87 H2'' ' OP2' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-N19 108.768 1.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.896 " H1'" " H5'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 P-O3'-C3' 121.663 1.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.896 " H5'" " H1'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-C2' 104.596 -1.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.56 ' OP2' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 O4'-C1'-C2' 107.511 1.283 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.55 ' H8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 P-O3'-C3' 120.358 0.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.5 H2'' ' OP2' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-N19 108.892 1.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.723 H2'' ' C8 ' ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 102.33 -0.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.723 ' C8 ' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 P-O3'-C3' 120.592 0.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.634 H2'' ' C6 ' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 O5'-C5'-C4' 111.573 0.981 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.634 ' C6 ' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-N19 108.65 1.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.825 " C1'" " H5'" ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C3'-C2'-C1' 105.026 1.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.854 H5'' ' HE2' ' A' ' 63' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C4'-C3'-C2' 104.379 1.179 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.722 " H3'" ' OG ' ' A' ' 32' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C1'-N19 109.051 1.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.594 " H1'" " H5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 P-O3'-C3' 120.611 0.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.821 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-C2' 107.375 1.159 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.821 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C4'-C3' 106.295 0.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.443 ' H6 ' " O5'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 107.523 1.294 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.553 " H4'" ' NH2' ' A' ' 89' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C4'-C3'-C2' 104.835 1.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.593 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-N19 108.792 1.24 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.593 ' C8 ' H2'' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-C2' 104.187 0.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.911 H2'' ' C6 ' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C3'-C2'-C1' 101.716 -0.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 0.911 ' C6 ' H2'' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C1'-N19 108.626 1.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.407 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 106.752 0.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.318 0.58 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.57 133.48 48.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.964 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -131.19 154.51 48.32 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.323 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.43 ' SG ' ' HB ' ' A' ' 15' ' ' VAL . 35.5 t -68.21 115.93 34.11 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.712 175.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -67.6 -6.02 15.63 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.7 2.267 . . . . 0.0 112.533 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.489 ' HA ' ' HG3' ' A' ' 72' ' ' LYS . 84.6 t -80.07 -66.15 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.635 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.0 p -110.11 -22.39 11.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -170.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.74 11.94 42.23 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.889 -178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -77.67 167.08 22.16 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.757 0.278 . . . . 0.0 110.444 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -70.9 140.89 51.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.088 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 28' ' ' LEU . 27.0 m -68.68 147.19 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.323 0.582 . . . . 0.0 111.776 -177.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.2 m -113.3 15.65 19.22 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.458 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.11 -174.85 21.71 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.353 -0.839 . . . . 0.0 112.243 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -80.37 121.31 25.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -142.27 -64.89 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.982 0.42 . . . . 0.0 110.915 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.645 ' CE1' ' HG3' ' A' ' 34' ' ' LYS . 38.3 m-85 -100.29 71.61 1.58 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.134 0.492 . . . . 0.0 110.85 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.441 ' HA2' ' HE1' ' A' ' 98' ' ' MET . . . 86.4 -26.43 6.36 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.534 -0.757 . . . . 0.0 113.525 174.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD21 HG23 ' A' ' 76' ' ' VAL . 1.9 pt? -164.99 -161.69 0.57 Allowed 'General case' 0 C--O 1.238 0.465 0 CA-C-N 116.976 0.388 . . . . 0.0 110.508 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' HB3' ' CG1' ' A' ' 20' ' ' VAL . 3.2 mm? -59.71 107.41 0.6 Allowed 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.73 174.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.583 HG21 ' HB2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -132.17 150.96 52.03 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.181 -175.148 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.6 p -104.58 155.18 19.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.85 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.596 ' HA ' ' HB3' ' A' ' 34' ' ' LYS . 16.7 tp10 -63.59 -22.39 66.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.202 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.1 p -68.89 -45.02 72.02 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.161 -0.337 . . . . 0.0 110.749 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.0 m -74.57 -35.5 63.05 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.195 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.645 ' HG3' ' CE1' ' A' ' 25' ' ' TYR . 60.4 tttt -57.3 -49.27 76.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.079 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.537 ' O ' ' HG2' ' A' ' 39' ' ' ARG . . . -60.88 -48.57 85.61 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.161 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -59.16 -42.24 90.29 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 111.035 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.417 ' O ' HG23 ' A' ' 41' ' ' VAL . 13.0 t80 -62.15 -48.31 80.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.702 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.77 ' HG2' " H2'" ' B' ' 8' ' ' ' DG' . 17.9 mtpt -54.5 -48.9 71.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.963 175.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 35' ' ' GLY . 18.7 mmm180 -56.16 -47.53 78.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.294 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.7 m -73.81 -55.51 6.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.944 -174.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 37' ' ' PHE . 21.9 t -68.04 -42.81 85.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -171.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.969 HE21 " H3'" ' B' ' 8' ' ' ' DG' . 13.1 mm-40 -67.59 -35.73 79.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.977 0.418 . . . . 0.0 111.718 -175.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -88.65 11.13 18.29 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.098 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.6 p30 45.26 43.03 7.75 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 124.27 0.981 . . . . 0.0 110.182 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -87.61 158.61 18.83 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 114.192 -1.367 . . . . 0.0 111.771 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -145.14 118.04 8.76 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.308 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -90.56 173.15 8.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.965 0.412 . . . . 0.0 111.155 -175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.8 m -132.12 122.21 25.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.396 -178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.0 t -97.25 114.95 26.75 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.6 p -76.62 -8.85 58.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.161 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -88.4 -150.84 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.076 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.3 p -83.55 5.02 25.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.88 -177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 71.51 -48.27 0.67 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.549 0.74 . . . . 0.0 111.978 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -81.59 61.53 5.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.341 0.591 . . . . 0.0 110.138 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.7 m -89.69 167.29 13.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.977 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -89.61 127.42 35.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.045 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.1 mm -87.26 90.97 3.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.477 0.656 . . . . 0.0 109.775 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.528 ' HB3' ' HG3' ' A' ' 61' ' ' GLN . 15.5 t70 -102.2 178.95 4.45 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.352 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -58.78 -39.29 80.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.0 0.429 . . . . 0.0 110.644 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.6 p -89.65 -43.59 10.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.899 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.528 ' HG3' ' HB3' ' A' ' 58' ' ' ASP . 33.9 mt-30 -69.88 -15.97 63.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.241 -170.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.8 ptt180 -69.97 -10.18 57.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.66 ' HG2' " C5'" ' C' ' 19' ' ' ' DT' . 14.2 mtpt -95.25 -41.17 9.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 111.247 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -70.41 -31.55 68.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.299 -174.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.669 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 91.6 m -118.06 83.55 19.67 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.421 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.98 -38.0 13.92 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.25 1.967 . . . . 0.0 111.594 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -61.05 -39.4 89.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.242 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.669 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 49.3 m -70.33 -35.88 73.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.469 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 1.133 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 57.3 ttt180 -65.01 -38.85 92.28 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 176.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -58.62 -49.46 77.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.962 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.839 ' HA ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER -58.89 -42.42 89.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.523 177.047 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.489 ' HG3' ' HA ' ' A' ' 15' ' ' VAL . 19.7 tptm -59.25 -38.68 80.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.92 178.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 85.5 m -61.02 -56.15 24.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.283 177.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 78' ' ' MET . 8.8 mp -61.22 -24.37 66.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.55 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.8 m -66.3 -51.83 53.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.816 0.341 . . . . 0.0 111.352 178.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 HD21 ' A' ' 27' ' ' LEU . 26.0 m -72.14 -22.8 21.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.834 -172.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.42 0.46 2.37 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.125 -1.035 . . . . 0.0 113.23 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.511 ' O ' ' HA ' ' A' ' 74' ' ' LEU . 74.8 mtp -74.59 111.53 9.88 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 177.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -96.88 163.03 13.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 54.8 mt -75.95 -36.6 59.27 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.93 -174.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -68.86 -7.1 31.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.716 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.401 ' HA ' ' CE1' ' A' ' 95' ' ' PHE . . . -71.35 -19.24 62.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.112 0.482 . . . . 0.0 110.43 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -96.64 146.18 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.755 ' HB2' H5'' ' B' ' 8' ' ' ' DG' . 4.3 mmp_? -92.32 99.86 12.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.158 -0.339 . . . . 0.0 110.794 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.81 -11.67 29.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.23 0.538 . . . . 0.0 110.805 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.74 -9.28 56.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.854 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.757 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 0.3 OUTLIER 68.3 16.89 9.3 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.765 0.793 . . . . 0.0 109.0 -175.623 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.9 tpt -94.08 118.23 31.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.881 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.792 ' HD3' ' H21' ' B' ' 7' ' ' ' DG' . 98.0 mtt180 -67.63 -19.04 65.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.394 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.649 ' HA3' " H5'" ' C' ' 27' ' ' ' DA' . . . -79.32 61.2 4.21 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.195 177.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.512 ' H ' " H4'" ' B' ' 7' ' ' ' DG' . . . -94.63 32.32 6.13 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.217 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.807 ' O ' H5'' ' C' ' 28' ' ' ' DG' . 24.2 ttt85 -96.51 98.18 10.02 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.74 -0.23 . . . . 0.0 111.083 -176.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 92' ' ' ARG . 67.3 t30 176.94 -60.3 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.749 0.309 . . . . 0.0 111.552 174.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -52.3 -49.7 63.65 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.445 ' O ' ' HG3' ' A' ' 98' ' ' MET . 34.9 m-85 -95.37 11.55 32.32 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -173.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -58.92 -64.88 3.89 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.016 -0.611 . . . . 0.0 113.393 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.84 -39.28 83.0 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.929 2.42 . . . . 0.0 113.265 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.445 ' HG3' ' O ' ' A' ' 95' ' ' PHE . 3.9 ppp? -64.33 -27.87 69.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.478 -176.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -51.94 -55.38 20.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.82 0.819 . . . . 0.0 110.497 173.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -67.4 -34.33 77.03 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.566 -178.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.647 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 35.5 ttm180 -63.16 -50.15 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.156 177.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.57 -42.57 92.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.816 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -58.32 -44.09 88.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.378 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.24 -35.75 76.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.049 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 98.9 mt -63.4 -45.82 89.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.764 178.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -66.32 -37.67 85.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.093 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -62.31 -38.35 89.06 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.144 0.497 . . . . 0.0 110.452 174.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -64.56 -29.62 70.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.658 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -96.07 -65.47 0.97 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.04 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -116.05 105.69 12.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.153 0.501 . . . . 0.0 111.315 -173.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.687 -0.673 . . . . 0.0 109.533 177.186 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.835 H2'' ' C8 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.549 0 O5'-C5'-C4' 111.618 1.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.835 ' C8 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 104.444 1.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.721 ' C6 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C4'-C3'-C2' 104.584 1.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.629 ' H72' " H2'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C4'-C3'-C2' 104.222 1.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.641 " H1'" ' NH1' ' A' ' 92' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C4'-C3'-C2' 102.687 -0.513 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.449 " H1'" " H5'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-N19 108.849 1.311 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.913 H2'' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C4'-C3'-C2' 104.679 1.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.969 " H3'" HE21 ' A' ' 42' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C4'-C3'-C2' 104.43 1.23 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.757 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 P-O3'-C3' 120.688 0.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C4'-C3' 106.35 0.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.662 H2'' ' C8 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C4'-C3'-C2' 105.127 1.927 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.662 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C1'-O4'-C4' 110.664 0.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.9 " H1'" " H5'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.157 0.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.9 " H5'" " H1'" ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 O4'-C1'-C2' 107.178 0.98 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.495 ' OP2' H2'' ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 P-O3'-C3' 121.084 1.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.664 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.601 0 C4'-C3'-C2' 102.021 -1.179 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.664 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 P-O3'-C3' 120.98 1.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.667 H2'' ' OP2' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 O4'-C1'-C2' 106.858 0.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 1.133 " H3'" HH12 ' A' ' 69' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-N19 109.082 1.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.606 H2'' ' OP2' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C1'-O4'-C4' 110.378 0.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.606 ' OP2' H2'' ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 P-O3'-C3' 121.13 1.191 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.967 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 104.495 1.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.967 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 P-O3'-C3' 120.989 1.074 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.912 " H1'" " H5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-N19 108.514 0.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.912 " H5'" " H1'" ' C' ' 24' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 P-O3'-C3' 121.068 1.14 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.727 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C4'-C3'-C2' 104.519 1.319 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.911 " H1'" " H5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 C1'-O4'-C4' 110.5 0.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.911 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-C2' 107.49 1.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 0.958 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-N19 108.852 1.316 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.958 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-C2' 107.532 1.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.527 0.68 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -102.53 150.64 23.19 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.16 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 12' ' ' LEU . 7.2 mp -100.01 141.17 33.19 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.988 0.423 . . . . 0.0 110.843 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.4 t -56.36 122.85 52.28 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.18 -10.91 30.27 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 123.21 2.606 . . . . 0.0 112.671 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.405 HG11 ' SG ' ' A' ' 73' ' ' CYS . 60.9 t -80.3 -33.36 14.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.254 177.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 p -139.16 -85.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.553 -175.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.87 46.0 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.968 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -116.6 150.84 37.41 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 174.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -55.85 126.81 27.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.146 0.498 . . . . 0.0 109.916 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.653 HG11 ' HB3' ' A' ' 28' ' ' LEU . 35.3 m -64.35 147.98 12.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.251 -0.886 . . . . 0.0 112.281 -173.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.6 m -98.09 20.51 12.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.437 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.87 178.54 15.99 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.494 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -92.64 107.78 19.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.028 0.442 . . . . 0.0 110.182 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 5.8 p80 -154.56 149.62 26.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.476 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.456 ' CE1' ' HG3' ' A' ' 34' ' ' LYS . 63.9 m-85 70.11 15.28 7.66 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.795 0.684 . . . . 0.0 110.174 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.68 17.67 63.31 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.5 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.8 mt -155.18 162.05 41.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.239 0.542 . . . . 0.0 112.114 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.653 ' HB3' HG11 ' A' ' 20' ' ' VAL . 3.3 mm? -80.37 102.29 9.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 168.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.2 p -129.08 148.81 51.06 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 120.948 0.404 . . . . 0.0 111.129 -173.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 18.6 p -87.78 161.5 17.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.559 -179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -58.71 -32.32 69.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.856 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 m -57.03 -48.48 78.42 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.911 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 91.5 m -72.11 -38.73 69.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.873 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 25' ' ' TYR . 27.7 ttpt -59.6 -43.44 93.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.797 0.332 . . . . 0.0 110.284 177.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.33 -50.82 62.78 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.418 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -65.42 -40.28 93.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.574 0.226 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 41' ' ' VAL . 22.2 t80 -58.38 -46.49 86.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.88 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.595 ' HD2' " H2'" ' B' ' 8' ' ' ' DG' . 55.4 mtmt -56.24 -58.15 9.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.564 176.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.542 ' NH1' ' H71' ' C' ' 19' ' ' ' DT' . 45.5 mtt180 -56.86 -29.9 63.33 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 41.6 m -82.17 -55.99 4.2 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.488 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 37' ' ' PHE . 35.9 t -68.54 -37.6 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.485 -173.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.73 ' HG2' ' HA ' ' A' ' 85' ' ' ALA . 98.1 mt-30 -62.11 -21.63 65.15 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.665 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 50.3 m-80 -113.06 1.81 15.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.919 0.39 . . . . 0.0 110.145 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.462 HD22 ' N ' ' A' ' 44' ' ' ASN . 0.9 OUTLIER 60.05 35.25 21.38 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.89 179.31 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.665 ' HG3' ' HB2' ' A' ' 43' ' ' ASN . 87.2 mttt -73.67 120.84 19.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.276 -173.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -109.49 97.36 6.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.416 172.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.602 ' HB2' ' HB2' ' A' ' 67' ' ' PHE . 60.9 m-85 -72.62 174.28 7.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.473 -178.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.3 m -135.62 129.78 33.38 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.529 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.877 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 48.5 t -97.99 165.13 12.06 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.7 p -70.17 -64.31 0.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 0.0 112.235 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -86.33 -138.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.494 -174.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.3 m -66.59 0.05 2.52 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.91 0.484 . . . . 0.0 111.603 -179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.877 ' HG2' ' HB3' ' A' ' 49' ' ' CYS . 40.1 mt-30 68.7 8.57 6.82 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.012 173.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 m -108.52 78.59 1.17 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 40.1 m -103.5 174.01 6.05 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.751 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 56' ' ' LYS . 33.9 mtmm -84.08 142.01 30.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.793 177.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.5 mm -106.37 98.02 6.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.136 0.493 . . . . 0.0 110.539 -177.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -128.06 178.96 5.85 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.848 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HA ' ' NE ' ' A' ' 62' ' ' ARG . 26.7 ttpp -53.71 -34.76 59.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.556 0.535 . . . . 0.0 112.425 -174.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 6.6 p -89.03 -50.1 6.37 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.108 0.411 . . . . 0.0 112.108 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.553 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 22.6 mt-30 -72.77 -16.2 61.64 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -171.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.553 ' O ' ' HD2' ' A' ' 69' ' ' ARG . 37.9 ptt180 -71.42 -5.47 33.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.917 0.389 . . . . 0.0 111.075 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.526 ' NZ ' " H4'" ' B' ' 15' ' ' ' DG' . 93.6 mttt -95.44 -45.8 6.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.098 0.475 . . . . 0.0 110.344 176.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.553 ' HG2' ' HA ' ' A' ' 61' ' ' GLN . 9.1 ptm180 -75.63 -27.37 58.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.418 -176.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.5 ' HB3' ' SG ' ' A' ' 68' ' ' CYS . 93.1 m -114.86 81.12 7.13 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.296 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -68.49 -33.44 22.71 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.225 1.95 . . . . 0.0 111.443 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.602 ' HB2' ' HB2' ' A' ' 47' ' ' TYR . 80.2 t80 -64.19 -51.27 64.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.335 177.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 65' ' ' CYS . 32.6 m -60.61 -40.89 93.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.236 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.656 HH12 " H3'" ' C' ' 19' ' ' ' DT' . 59.2 ttt180 -60.77 -46.87 88.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.791 178.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.24 -50.79 71.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.572 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 67' ' ' PHE . 16.5 mm100 -59.57 -39.57 84.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -54.87 -46.42 74.74 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.296 0.238 . . . . 0.0 110.99 175.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.405 ' SG ' HG11 ' A' ' 15' ' ' VAL . 63.2 m -55.22 -50.09 70.31 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.57 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.499 HD21 HD21 ' A' ' 80' ' ' LEU . 8.4 mp -67.78 -32.42 72.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.379 . . . . 0.0 112.008 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 89.3 m -63.31 -44.09 95.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.719 0.295 . . . . 0.0 111.303 -178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.2 m -74.94 -22.83 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 120.904 -0.319 . . . . 0.0 111.065 -179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 119.43 33.04 1.15 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.367 -0.92 . . . . 0.0 114.142 171.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 79.4 mtp -78.25 118.06 20.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.444 0.622 . . . . 0.0 109.617 174.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -73.37 120.01 18.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.252 -174.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.499 HD21 HD21 ' A' ' 74' ' ' LEU . 68.3 mt -59.65 -38.95 82.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.813 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.484 ' HG3' ' HZ ' ' A' ' 95' ' ' PHE . 10.3 pt-20 -76.33 6.87 4.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.927 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.05 2.72 46.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.048 0.451 . . . . 0.0 110.513 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.431 HG11 ' CG1' ' A' ' 41' ' ' VAL . 3.5 p -99.11 147.59 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.548 178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.761 ' HB3' H5'' ' B' ' 8' ' ' ' DG' . 5.2 tpt180 -113.68 111.25 21.5 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.721 -0.391 . . . . 0.0 109.972 176.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.73 ' HA ' ' HG2' ' A' ' 42' ' ' GLN . . . -85.73 -18.71 32.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.345 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 87' ' ' ARG . 5.1 m-20 -57.27 -78.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.055 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 1.012 ' HD3' H5'' ' B' ' 9' ' ' ' DG' . 15.8 tpp85 169.49 -31.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.672 -176.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 92.6 mmm -52.88 126.12 19.24 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.382 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.66 ' HD3' ' N2 ' ' B' ' 7' ' ' ' DG' . 96.0 mtt180 -96.64 3.79 52.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.899 -177.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -127.85 127.69 5.84 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.276 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.45 45.72 0.19 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.21 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.646 ' HE ' " H4'" ' C' ' 28' ' ' ' DG' . 59.8 ttp180 -88.74 86.73 7.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.999 0.428 . . . . 0.0 110.526 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.581 ' HB3' ' OP1' ' C' ' 28' ' ' ' DG' . 5.2 p30 -157.89 -52.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.691 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -56.51 -46.59 80.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.987 0.423 . . . . 0.0 111.733 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.484 ' HZ ' ' HG3' ' A' ' 81' ' ' GLU . 94.0 m-85 -91.66 8.48 36.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.666 -178.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.536 ' N ' ' HD2' ' A' ' 97' ' ' PRO . . . -53.61 -53.87 33.41 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-O 119.525 -0.597 . . . . 0.0 113.633 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 96' ' ' GLY . 10.0 Cg_endo -52.42 -46.73 31.11 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.068 2.512 . . . . 0.0 113.203 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.455 ' SD ' ' HD2' ' A' ' 95' ' ' PHE . 26.9 ptm -71.6 -35.2 70.42 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.547 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.428 ' O ' ' HG3' ' A' ' 103' ' ' ARG . 7.8 m-85 -63.32 -54.38 38.02 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.026 0.441 . . . . 0.0 110.644 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -58.58 -52.23 66.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.763 -177.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 32.3 ttm180 -62.14 -51.07 69.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.532 -176.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.05 -45.89 91.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.618 0.247 . . . . 0.0 111.123 -175.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 99' ' ' TYR . 60.6 mtm180 -62.59 -40.64 97.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.958 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.463 ' HA ' ' HG2' ' A' ' 107' ' ' GLN . . . -63.65 -34.98 79.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.012 0.434 . . . . 0.0 110.902 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 101' ' ' ARG . 71.5 mt -72.02 -37.95 69.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.524 177.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.713 ' HE3' ' HA ' ' A' ' 111' ' ' ALA . 82.0 tttt -73.22 -40.62 64.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.296 -178.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 4.1 pt20 -73.9 2.3 8.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.346 . . . . 0.0 111.109 -178.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -61.35 -33.53 73.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 171.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -125.06 -77.48 0.59 Allowed 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.334 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -171.86 -51.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.713 ' HA ' ' HE3' ' A' ' 106' ' ' LYS . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.249 -179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.623 H2'' ' H8 ' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 O5'-C5'-C4' 111.701 1.072 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.623 ' H8 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 105.006 -0.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.501 ' C5 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 O4'-C4'-C3' 106.073 0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.663 H2'' ' OP2' ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C4'-C3' 106.133 0.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' DC' . . . . . 0.663 ' OP2' H2'' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 P-O3'-C3' 121.197 1.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.598 ' C8 ' " H1'" ' B' ' 5' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-N19 108.596 0.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.735 H2'' ' OP2' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-N19 109.055 1.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.761 H5'' ' HB3' ' A' ' 84' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 P-O3'-C3' 121.124 1.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 1.012 H5'' ' HD3' ' A' ' 87' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 P-O3'-C3' 121.729 1.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.533 H2'' ' OP2' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-N19 108.59 0.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.533 ' OP2' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 104.98 1.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.473 ' C8 ' " C2'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 104.673 -1.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.459 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 P-O3'-C3' 120.73 0.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ' DA' . . . . . 0.678 " H1'" " H5'" ' B' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C1'-O4'-C4' 110.352 0.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ' DG' . . . . . 0.678 " H5'" " H1'" ' B' ' 14' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 105.065 1.689 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.616 H2'' ' H71' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.633 0 O5'-C5'-C4' 111.666 1.047 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.616 ' H71' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 107.623 1.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.594 " H2'" ' H72' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C4'-C3'-C2' 104.536 1.336 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.656 " H3'" HH12 ' A' ' 69' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C1'-O4'-C4' 110.582 0.63 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . 0.931 " H1'" " H5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-C2' 104.283 -1.652 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.931 " H5'" " H1'" ' C' ' 20' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 P-O3'-C3' 121.151 1.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.87 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C1'-O4'-C4' 110.689 0.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.87 " H5'" " H1'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.463 1.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.573 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 P-O3'-C3' 121.234 1.278 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.693 H2'' ' H8 ' ' C' ' 26' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C4'-C3'-C2' 103.912 0.712 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' ' DG' . . . . . 0.72 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C4'-C3'-C2' 104.653 1.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 1.047 " H1'" " H5'" ' C' ' 28' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-N19 108.575 0.969 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 1.047 " H5'" " H1'" ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-C2' 107.424 1.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' ' DC' . . . . . 0.695 H2'' ' C5 ' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 104.648 -1.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.695 ' C5 ' H2'' ' C' ' 29' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.261 1.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1001 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1002 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_