data_2p7c_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 2p7c _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo . . . . . 0 N--CA 1.455 -0.759 0 N-CA-C 110.782 -0.507 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -84.19 109.36 17.68 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 35.6 mm -81.06 152.16 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.639 1.176 . . . . 0.0 111.41 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t -149.33 -174.62 4.71 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.542 2.337 . . . . 0.0 107.375 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.73 -61.19 2.8 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.316 0.646 . . . . 0.0 110.04 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -31.1 72.05 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.539 0.736 . . . . 0.0 112.599 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' B' ' 15' ' ' MET . 0.0 OUTLIER -62.65 -52.76 62.07 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.414 0.685 . . . . 0.0 110.45 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.51 -45.99 84.89 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.226 1.01 . . . . 0.0 112.147 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -48.15 -47.33 34.94 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 m -69.38 -40.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-N 118.562 0.619 . . . . 0.0 111.481 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' MET . . . . . 0.661 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 27.0 mtp -51.64 -45.58 63.39 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.475 1.11 . . . . 0.0 110.499 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -51.31 -48.58 62.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 126.221 1.808 . . . . 0.0 111.168 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 t -65.94 -38.48 82.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.279 0 C-N-CA 123.284 0.634 . . . . 0.0 110.523 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.53 -44.14 90.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -68.95 -27.14 65.47 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.632 1.173 . . . . 0.0 111.705 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.35 -47.36 82.46 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -79.36 167.74 20.46 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.448 1.499 . . . . 0.0 107.999 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 43.6 p -63.71 -59.49 4.52 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 69.6 m -129.84 -154.55 0.64 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 102.475 -3.157 . . . . 0.0 102.475 163.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.356 10.3 tt -150.84 151.95 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 122.178 2.263 . . . . 0.0 113.371 174.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -110.98 148.27 32.89 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -43.13 -36.29 1.63 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -177.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -45.33 86.39 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 120.996 1.726 . . . . 0.0 111.086 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.92 -39.37 87.36 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -59.43 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 37.8 mt -60.35 -49.93 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.445 0.698 . . . . 0.0 110.461 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -48.98 -38.75 24.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 123.551 0.532 . . . . 0.0 112.339 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.26 -56.66 3.78 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.439 0.696 . . . . 0.0 112.371 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.01 -39.89 66.53 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 126.479 1.911 . . . . 0.0 112.044 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 95.4 p -67.53 -39.72 85.04 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.944 0.898 . . . . 0.0 112.511 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -70.99 -45.17 64.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.345 0.658 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.2 p -72.02 -65.29 0.79 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.869 0.867 . . . . 0.0 111.471 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 56.5 m -96.32 162.3 13.56 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.93 1.292 . . . . 0.0 111.769 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 35.6 p -54.72 -68.1 0.21 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.742 1.217 . . . . 0.0 110.286 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -3.6 115.79 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 129.871 3.268 . . . . 0.0 116.512 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 76.9 p -77.61 173.21 7.94 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 124.526 1.13 . . . . 0.0 109.411 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -51.72 -32.34 45.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.479 2.786 . . . . 0.0 113.278 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.08 -57.29 4.67 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.704 0.801 . . . . 0.0 108.895 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 11.9 m -51.07 -40.71 58.98 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 127.431 2.292 . . . . 0.0 113.076 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 mt -57.38 -49.35 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 125.404 1.482 . . . . 0.0 113.141 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -56.25 -30.94 63.07 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 118.411 2.745 . . . . 0.0 118.411 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.1 t -61.92 -43.62 98.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 120.828 1.649 . . . . 0.0 111.235 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -58.98 -25.59 63.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.93 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -87.65 -60.5 1.96 Allowed 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.339 1.056 . . . . 0.0 111.503 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.12 -54.21 46.11 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 126.26 1.824 . . . . 0.0 114.223 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -66.47 -43.67 84.84 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 118.09 0.405 . . . . 0.0 111.635 -176.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 mp -51.15 -52.94 39.14 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 124.903 1.281 . . . . 0.0 107.986 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -59.89 -42.83 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 118.153 0.433 . . . . 0.0 111.666 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.52 -37.57 81.56 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.627 0.771 . . . . 0.0 110.916 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -94.0 -9.41 36.96 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.899 1.28 . . . . 0.0 113.623 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.15 0.64 41.35 Favored Glycine 0 CA--C 1.533 1.216 0 CA-C-O 117.155 -1.914 . . . . 0.0 117.592 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.07 -51.25 70.86 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 121.44 2.62 . . . . 0.0 112.829 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 mp -122.45 166.98 13.9 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.96 2.504 . . . . 0.0 109.953 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -140.61 128.4 21.76 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.523 0.729 . . . . 0.0 111.153 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.53 150.01 20.78 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 119.01 0.823 . . . . 0.0 111.715 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -146.12 126.43 13.95 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 123.998 0.919 . . . . 0.0 110.112 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -83.57 93.13 7.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -86.97 138.03 31.86 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 126.753 2.021 . . . . 0.0 110.259 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -4.45 -68.7 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 C-N-CA 128.92 3.152 . . . . 0.0 115.928 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -72.41 -79.39 0.08 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.456 0.628 . . . . 0.0 110.258 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 34.0 m -133.4 173.69 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 N-CA-C 105.535 -2.024 . . . . 0.0 105.535 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.36 153.23 28.48 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -173.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.18 132.86 70.12 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.543 0 CA-C-N 112.112 -2.313 . . . . 0.0 109.9 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -95.0 120.98 36.13 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 103.46 -2.793 . . . . 0.0 103.46 174.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 73.2 p -112.9 128.57 25.44 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 125.384 1.473 . . . . 0.0 111.039 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -57.02 113.31 1.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.797 2.998 . . . . 0.0 111.395 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -76.38 -9.29 58.54 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.126 0.971 . . . . 0.0 111.465 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 127.479 2.311 . . . . 0.0 107.471 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo . . . . . 0 N--CA 1.461 -0.434 0 N-CA-C 111.083 -0.391 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -78.12 76.57 4.63 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -81.12 136.56 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.704 0.802 . . . . 0.0 109.944 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 30.7 t -132.76 -134.75 0.18 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -82.54 -56.64 3.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.62 -44.0 36.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.628 1.571 . . . . 0.0 114.741 -177.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -72.99 -47.55 44.2 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.65 -35.26 72.25 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.829 0.852 . . . . 0.0 111.419 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -55.8 -46.95 77.9 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.219 0.918 . . . . 0.0 109.516 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.76 -60.25 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 124.117 0.967 . . . . 0.0 110.212 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.9 mmt -51.4 -39.74 57.83 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.958 1.303 . . . . 0.0 112.625 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.62 -53.35 55.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.227 1.411 . . . . 0.0 109.828 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.02 -47.93 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 124.234 1.014 . . . . 0.0 110.091 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.32 -42.15 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 123.361 0.664 . . . . 0.0 111.044 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -67.15 -19.98 65.68 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -68.83 -48.23 64.05 Favored 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' B' ' 23' ' ' SER . 3.2 t-160 -72.76 152.43 41.61 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.033 1.733 . . . . 0.0 108.992 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.414 ' H ' ' HD2' ' B' ' 21' ' ' HIS . 46.7 t -57.47 -58.27 9.0 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' SER . . . . . 0.46 ' O ' ' CG ' ' B' ' 21' ' ' HIS . 28.6 p -128.35 -154.5 0.64 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 101.647 -3.464 . . . . 0.0 101.647 166.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.336 14.7 tt -150.52 141.5 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 122.852 2.569 . . . . 0.0 112.573 172.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -102.7 127.85 49.65 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 100.634 -3.839 . . . . 0.0 100.634 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -42.26 -29.35 0.25 Allowed 'General case' 0 C--O 1.227 -0.085 0 C-N-CA 127.755 2.422 . . . . 0.0 114.708 -173.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' B' ' 31' ' ' LYS . 2.6 p30 -61.55 -38.56 87.92 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 118.683 -1.207 . . . . 0.0 111.816 177.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -73.21 -37.83 66.31 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.534 0.733 . . . . 0.0 110.923 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -56.17 17.31 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -60.46 -52.8 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 123.769 0.828 . . . . 0.0 109.857 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 60.0 tptt -49.79 -36.96 28.06 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -84.78 -58.61 2.64 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 118.957 0.799 . . . . 0.0 112.457 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.34 -35.24 73.48 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 61.6 m -65.41 -32.41 74.02 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 119.301 0.955 . . . . 0.0 112.583 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -78.22 -44.31 25.99 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.882 0.873 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 61.6 p -74.83 -58.29 3.38 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.645 0.778 . . . . 0.0 111.247 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 46.5 m -92.72 162.05 14.3 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.537 1.135 . . . . 0.0 110.46 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.7 p -59.38 -56.29 23.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.052 0.941 . . . . 0.0 110.364 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -15.92 119.86 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 129.703 3.201 . . . . 0.0 116.05 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -76.43 175.43 4.35 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 125.252 1.421 . . . . 0.0 108.961 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -52.62 -45.11 42.46 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.913 2.409 . . . . 0.0 112.99 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -62.55 -52.84 61.86 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.701 0.8 . . . . 0.0 110.458 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 10.6 m -47.45 -29.85 2.99 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.88 2.072 . . . . 0.0 114.226 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 75.6 mt -83.05 -47.02 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 124.297 1.039 . . . . 0.0 111.683 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -43.81 -35.89 2.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.974 1.709 . . . . 0.0 114.689 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.5 t -59.74 -42.7 93.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 118.673 0.67 . . . . 0.0 112.171 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 34.0 mtt -54.46 -55.03 33.07 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.096 -177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.505 ' H ' ' CD2' ' B' ' 48' ' ' LEU . 0.7 OUTLIER -56.2 -57.28 12.86 Favored 'General case' 0 N--CA 1.435 -1.208 0 C-N-CA 123.32 0.648 . . . . 0.0 111.525 178.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -52.51 -51.59 58.77 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.438 1.095 . . . . 0.0 112.58 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -68.39 -48.39 64.83 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 118.562 -0.733 . . . . 0.0 111.211 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 mp -50.08 -41.21 47.65 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 119.108 0.867 . . . . 0.0 109.0 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 64.8 mt -69.42 -35.78 68.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 118.925 0.784 . . . . 0.0 111.57 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -67.49 -46.48 72.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.935 0.894 . . . . 0.0 111.316 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -83.19 -17.71 41.88 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.742 0.817 . . . . 0.0 111.893 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.17 5.41 40.55 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-O 116.701 -2.166 . . . . 0.0 117.836 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.09 95.25 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 122.104 2.952 . . . . 0.0 111.025 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.41 166.89 12.11 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.576 1.95 . . . . 0.0 111.27 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -141.27 131.67 25.2 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.46 1.104 . . . . 0.0 109.834 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.34 148.06 22.38 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.98 1.263 . . . . 0.0 111.518 177.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -146.55 129.3 16.19 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 124.714 1.206 . . . . 0.0 110.956 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -83.78 108.88 17.09 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 123.525 0.73 . . . . 0.0 109.707 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -98.05 137.76 36.37 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 127.292 2.237 . . . . 0.0 107.694 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -14.59 -59.77 0.01 OUTLIER Glycine 0 C--N 1.344 0.979 0 C-N-CA 128.464 2.935 . . . . 0.0 115.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -68.72 -83.77 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.3 m -136.33 172.65 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 125.177 1.391 . . . . 0.0 107.3 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.59 150.88 27.93 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -173.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -122.88 139.48 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.317 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.808 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.46 120.92 36.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 112.68 -2.055 . . . . 0.0 105.639 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 44.6 p -109.21 123.79 35.83 Favored Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 125.582 1.553 . . . . 0.0 111.9 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -59.52 111.77 1.04 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.343 2.695 . . . . 0.0 110.805 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -75.85 -13.28 60.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.579 0.752 . . . . 0.0 111.173 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.403 0 C-N-CA 125.244 1.417 . . . . 0.0 108.814 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo . . . . . 0 N--CA 1.456 -0.723 0 CA-C-O 120.862 0.276 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -84.28 93.89 8.32 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -80.36 142.57 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.879 1.272 . . . . 0.0 111.114 -176.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.0 t -128.0 177.03 7.15 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 127.235 2.214 . . . . 0.0 107.671 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.71 -61.08 2.85 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.84 31.59 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.682 1.193 . . . . 0.0 112.467 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.639 ' O ' ' HG3' ' B' ' 15' ' ' MET . 19.6 tt0 -61.59 -52.41 64.52 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.065 0.946 . . . . 0.0 111.733 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -34.15 57.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.547 1.139 . . . . 0.0 112.187 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -49.17 -41.07 35.44 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.29 -44.95 35.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' MET . . . . . 0.639 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 20.5 mtp -54.48 -40.9 68.92 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.314 1.046 . . . . 0.0 110.624 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -54.91 -50.15 69.51 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.135 1.374 . . . . 0.0 107.969 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 38.2 t -67.1 -37.52 79.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.368 1.067 . . . . 0.0 111.311 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 10.0 mt -64.36 -43.59 97.1 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 CA-C-N 119.349 0.977 . . . . 0.0 109.447 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -61.47 -19.23 61.79 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.811 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -68.95 -49.49 57.56 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 175.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 1.068 ' HD2' ' O ' ' B' ' 23' ' ' SER . 7.5 t60 -69.87 159.1 34.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.391 1.476 . . . . 0.0 108.163 177.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 23.3 p -62.29 -60.06 4.11 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' SER . . . . . 1.068 ' O ' ' HD2' ' B' ' 21' ' ' HIS . 56.7 m -130.35 -154.84 0.66 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 101.798 -3.408 . . . . 0.0 101.798 160.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.275 10.8 tt -150.7 151.62 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 O-C-N 119.936 -1.728 . . . . 0.0 111.408 174.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -112.35 173.83 6.18 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 122.283 2.31 . . . . 0.0 104.883 174.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -19.61 48.62 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -178.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -54.44 5.06 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 119.723 1.147 . . . . 0.0 111.107 176.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.12 -39.22 66.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.046 1.339 . . . . 0.0 112.026 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.0 -45.67 96.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 125.114 1.365 . . . . 0.0 110.866 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.45 -61.07 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.189 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -48.81 -32.96 9.55 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.126 0.97 . . . . 0.0 112.725 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -84.95 -61.82 1.69 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.778 0.831 . . . . 0.0 113.127 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.58 -57.11 5.6 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.0 p -42.76 -37.38 1.75 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -67.1 -48.54 67.85 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.091 0.556 . . . . 0.0 111.721 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 75.2 p -78.09 -47.58 17.96 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.229 1.012 . . . . 0.0 113.403 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 100.0 p -92.68 162.5 14.13 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 125.161 1.384 . . . . 0.0 113.244 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 31.7 p -58.59 -66.94 0.41 Allowed 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.618 1.167 . . . . 0.0 108.102 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -11.14 97.62 0.01 OUTLIER 'General case' 0 C--N 1.345 0.392 0 C-N-CA 129.185 2.994 . . . . 0.0 113.847 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 59.7 p -61.41 159.07 34.0 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 124.604 1.162 . . . . 0.0 110.125 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -44.24 -37.1 9.77 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 124.52 3.48 . . . . 0.0 114.666 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -66.99 -44.04 81.42 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.455 0.702 . . . . 0.0 110.139 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.627 ' O ' ' HG3' ' B' ' 47' ' ' MET . 76.9 m -67.78 -21.95 65.22 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.545 1.538 . . . . 0.0 112.536 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.6 mm -65.98 -42.05 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 118.667 0.667 . . . . 0.0 110.448 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -49.6 -48.03 49.16 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.006 1.323 . . . . 0.0 113.164 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -68.25 -36.95 80.25 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.5 -1.238 . . . . 0.0 112.841 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.627 ' HG3' ' O ' ' B' ' 43' ' ' THR . 9.9 mtm -45.85 -26.58 0.7 Allowed 'General case' 0 C--N 1.344 0.343 0 C-N-CA 126.388 1.875 . . . . 0.0 114.758 -172.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 70.4 mt -85.72 -55.63 3.88 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 126.213 1.805 . . . . 0.0 108.479 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -17.93 59.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.033 2.133 . . . . 0.0 112.951 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -55.36 -60.81 2.89 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 119.462 1.028 . . . . 0.0 108.493 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -50.58 -54.34 23.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.134 1.773 . . . . 0.0 111.18 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 19.4 mt -48.39 -35.61 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.718 1.607 . . . . 0.0 113.008 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -55.43 -46.35 76.69 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.323 0.511 . . . . 0.0 111.156 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -92.73 -17.93 23.6 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.42 0.688 . . . . 0.0 110.533 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.69 20.09 12.34 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 117.514 -1.715 . . . . 0.0 114.523 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.49 -7.68 49.07 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.765 2.283 . . . . 0.0 112.994 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.1 mt -151.12 164.55 36.25 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.02 2.528 . . . . 0.0 106.93 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -142.12 124.57 15.71 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 117.425 -1.274 . . . . 0.0 110.423 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -93.85 149.24 21.4 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 120.736 1.607 . . . . 0.0 111.845 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -147.12 144.63 29.16 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 125.17 1.388 . . . . 0.0 108.56 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -83.0 97.98 9.02 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -86.97 79.14 8.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.686 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 58.78 -88.38 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 C-N-CA 125.127 1.346 . . . . 0.0 112.804 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -67.59 -61.71 1.76 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.184 0.993 . . . . 0.0 111.161 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.11 158.49 43.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 C-N-CA 123.896 0.878 . . . . 0.0 112.234 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.29 134.07 35.26 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 125.64 1.576 . . . . 0.0 108.698 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 40.1 t -125.94 139.69 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 113.823 -1.535 . . . . 0.0 108.755 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -93.96 120.56 34.39 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 103.935 -2.617 . . . . 0.0 103.935 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 33.8 p -96.07 127.83 39.34 Favored Pre-proline 0 C--N 1.342 0.239 0 C-N-CA 125.03 1.332 . . . . 0.0 112.093 -173.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -56.56 96.7 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.768 2.979 . . . . 0.0 113.044 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -64.16 -33.89 76.81 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.03 0.932 . . . . 0.0 109.582 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 10.2 pt . . . . . 0 CA--C 1.533 0.318 0 C-N-CA 126.676 1.99 . . . . 0.0 106.52 178.21 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo . . . . . 0 N--CA 1.454 -0.805 0 N-CA-C 109.873 -0.856 . . . . 0.0 109.873 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -72.24 102.46 3.09 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -80.79 117.87 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 30.7 m -100.13 179.99 4.31 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.543 1.537 . . . . 0.0 108.283 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.86 -52.91 63.44 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -22.2 66.96 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.18 0.992 . . . . 0.0 113.349 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -73.2 -54.82 7.48 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.794 0.725 . . . . 0.0 110.075 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -56.64 -36.75 69.87 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.287 0.635 . . . . 0.0 111.809 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.57 -47.54 79.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.669 0.788 . . . . 0.0 110.891 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 m -73.2 -51.37 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 118.47 -0.776 . . . . 0.0 110.278 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 6.4 mmt -46.72 -36.98 7.75 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.421 1.088 . . . . 0.0 112.447 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -56.1 -52.48 64.14 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.472 1.109 . . . . 0.0 110.098 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.66 -40.0 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.466 0.707 . . . . 0.0 110.397 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mt -64.47 -44.15 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 122.508 0.323 . . . . 0.0 110.145 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -72.5 -24.24 61.14 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.833 0.853 . . . . 0.0 111.319 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -64.31 -45.46 87.83 Favored 'General case' 0 C--N 1.345 0.37 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -77.68 158.7 29.57 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.961 1.304 . . . . 0.0 107.635 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.4 p -58.72 -58.89 6.6 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -129.35 -154.12 0.61 Allowed 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 101.929 -3.36 . . . . 0.0 101.929 164.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.378 9.4 tt -150.4 152.05 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 121.85 2.113 . . . . 0.0 112.922 173.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -112.42 133.36 54.54 Favored 'General case' 0 N--CA 1.441 -0.883 1 N-CA-C 98.986 -4.45 . . . . 0.0 98.986 175.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 36.4 m -42.74 -26.98 0.15 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 0.1 OUTLIER -62.33 -44.49 96.36 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 120.521 1.51 . . . . 0.0 111.841 177.145 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -67.5 -41.83 83.84 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -57.15 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 118.675 -0.679 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 32.5 mt -59.29 -46.43 92.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 118.652 0.66 . . . . 0.0 110.344 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 0.8 OUTLIER -54.41 -39.22 67.09 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.358 0.663 . . . . 0.0 111.644 177.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.66 -61.87 1.86 Allowed 'General case' 0 C--N 1.342 0.281 0 CA-C-N 118.871 0.76 . . . . 0.0 112.29 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 mp -52.66 -40.99 63.39 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 127.178 2.191 . . . . 0.0 112.571 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -66.82 -39.73 87.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.516 0.726 . . . . 0.0 112.056 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -73.03 -44.42 60.87 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.241 0.616 . . . . 0.0 111.215 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p -73.43 -62.21 1.56 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.641 0.776 . . . . 0.0 111.741 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 16.1 t -92.84 162.18 14.2 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.693 1.197 . . . . 0.0 111.508 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 62.1 m -55.5 -60.75 2.99 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.909 1.284 . . . . 0.0 110.12 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -15.85 118.47 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 128.988 2.915 . . . . 0.0 115.582 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 58.4 p -77.76 174.59 5.7 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.805 1.242 . . . . 0.0 109.55 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -51.48 -39.71 64.13 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 123.368 2.712 . . . . 0.0 113.065 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -67.94 -52.32 37.41 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.604 0.762 . . . . 0.0 110.035 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.9 m -51.58 -30.75 22.07 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.11 1.764 . . . . 0.0 113.22 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.3 mt -77.17 -46.49 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 125.051 1.341 . . . . 0.0 112.32 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -48.8 -31.09 6.48 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.4 t -64.11 -54.79 28.46 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 68.4 mtm -51.4 -52.52 45.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.573 1.149 . . . . 0.0 108.997 -176.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.2 mt -53.68 -53.22 55.13 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.363 1.465 . . . . 0.0 111.315 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.14 -45.31 85.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.424 1.09 . . . . 0.0 112.541 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -68.06 -44.23 76.83 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 123.438 0.695 . . . . 0.0 111.835 -176.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 mp -52.27 -45.54 65.49 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 172.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 59.5 mt -62.29 -43.12 97.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.667 0.667 . . . . 0.0 111.237 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.96 -40.14 94.57 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.607 0.763 . . . . 0.0 110.686 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -89.18 -7.1 56.28 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.817 1.247 . . . . 0.0 113.558 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.33 -9.18 45.41 Favored Glycine 0 CA--C 1.535 1.324 0 N-CA-C 117.961 1.945 . . . . 0.0 117.961 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.33 -60.78 3.02 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 121.437 2.618 . . . . 0.0 113.235 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 mp -109.27 167.3 10.21 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.365 1.866 . . . . 0.0 112.743 -175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -140.76 118.67 11.81 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.958 0.903 . . . . 0.0 111.84 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.17 135.43 35.56 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.449 1.022 . . . . 0.0 111.737 177.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -147.2 142.14 26.96 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.091 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -83.91 115.41 22.28 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.355 1.062 . . . . 0.0 109.687 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -119.21 109.18 15.55 Favored 'General case' 0 C--N 1.343 0.326 0 C-N-CA 124.768 1.227 . . . . 0.0 112.319 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 50.96 -92.4 0.01 OUTLIER Glycine 0 C--N 1.341 0.813 0 C-N-CA 125.48 1.514 . . . . 0.0 113.593 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -67.99 -84.12 0.03 OUTLIER 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.94 0.896 . . . . 0.0 110.196 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 28.1 m -123.71 173.63 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' B' ' 66' ' ' PHE . 0.0 OUTLIER -80.79 153.88 27.49 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -173.438 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 45.3 t -118.47 135.66 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 114.286 -1.325 . . . . 0.0 111.361 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.302 10.0 m-85 -94.37 121.35 35.8 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 173.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 66.9 p -117.2 123.57 29.92 Favored Pre-proline 0 CA--C 1.532 0.254 0 C-N-CA 123.737 0.815 . . . . 0.0 111.432 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -59.83 107.22 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 124.082 3.188 . . . . 0.0 110.469 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -74.34 -7.6 53.39 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.202 0.601 . . . . 0.0 111.782 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.393 0 C-N-CA 125.329 1.451 . . . . 0.0 110.124 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo . . . . . 0 N--CA 1.463 -0.319 0 N-CA-C 112.919 0.315 . . . . 0.0 112.919 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -78.29 81.75 4.63 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 58.4 mt -80.83 143.02 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.838 0.855 . . . . 0.0 110.88 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 96.6 p -139.54 -165.46 1.87 Allowed 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 127.025 2.13 . . . . 0.0 106.898 178.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -61.13 -47.87 84.28 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.01 82.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.028 0.931 . . . . 0.0 113.101 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -69.65 -46.48 66.06 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.323 0.51 . . . . 0.0 109.671 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 tp -61.11 -31.57 71.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.97 -43.98 98.0 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.071 0.85 . . . . 0.0 109.003 176.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -67.87 -60.36 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 124.471 1.108 . . . . 0.0 110.095 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 18.1 mmm -53.2 -41.56 65.4 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 125.035 1.334 . . . . 0.0 111.392 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -55.42 -50.64 69.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.607 1.563 . . . . 0.0 110.982 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.6 t -63.04 -48.77 86.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.339 0 C-N-CA 123.351 0.66 . . . . 0.0 110.279 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.8 mt -58.93 -41.81 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.978 0.911 . . . . 0.0 112.015 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -64.77 -17.64 64.36 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -71.0 -50.15 37.35 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.212 0.915 . . . . 0.0 108.746 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.433 ' HD2' ' H ' ' B' ' 22' ' ' SER . 6.3 t-160 -72.39 153.26 41.54 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.904 1.682 . . . . 0.0 109.679 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' SER . . . . . 0.433 ' H ' ' HD2' ' B' ' 21' ' ' HIS . 36.0 p -57.34 -58.42 8.34 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' B' ' 21' ' ' HIS . 37.1 m -128.42 -155.31 0.69 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 101.884 -3.376 . . . . 0.0 101.884 165.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.315 6.8 tt -151.54 139.38 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 122.608 2.458 . . . . 0.0 112.111 172.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -95.79 134.16 39.07 Favored 'General case' 0 N--CA 1.432 -1.356 0 N-CA-C 100.338 -3.949 . . . . 0.0 100.338 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.77 -34.61 0.95 Allowed 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 127.349 2.26 . . . . 0.0 112.876 -176.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 0.1 OUTLIER -56.48 -43.43 79.62 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.428 1.013 . . . . 0.0 111.847 178.752 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -67.96 -36.48 80.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 118.187 0.449 . . . . 0.0 110.802 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.87 -56.97 14.2 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 C-N-CA 123.612 0.765 . . . . 0.0 108.97 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 15.5 mt -61.53 -51.46 72.55 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 26.1 tptp -46.5 -40.73 13.01 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.29 0.636 . . . . 0.0 112.237 177.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -84.83 -61.73 1.71 Allowed 'General case' 0 C--N 1.344 0.339 0 C-N-CA 123.718 0.807 . . . . 0.0 112.671 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.29 -46.78 79.6 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.769 0.828 . . . . 0.0 113.201 -177.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 16.8 t -55.28 -34.11 63.81 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -72.73 -46.82 51.55 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.896 0.478 . . . . 0.0 110.99 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 65.0 p -71.4 -57.59 4.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.956 0.903 . . . . 0.0 112.289 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 88.7 p -92.83 162.13 14.23 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.886 1.274 . . . . 0.0 112.064 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 63.3 p -66.12 -48.38 71.05 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.479 1.111 . . . . 0.0 110.419 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -22.54 123.14 0.03 OUTLIER 'General case' 0 C--N 1.343 0.302 0 C-N-CA 129.293 3.037 . . . . 0.0 114.268 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 96.0 p -72.05 166.11 43.96 Favored Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 124.165 0.986 . . . . 0.0 109.962 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.16 -42.66 58.22 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.134 2.556 . . . . 0.0 110.807 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -58.65 -49.26 78.17 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.886 1.275 . . . . 0.0 110.567 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.543 ' O ' ' HG3' ' B' ' 47' ' ' MET . 82.1 m -60.17 -44.49 94.99 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 123.527 0.731 . . . . 0.0 110.784 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.91 -64.59 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-O 119.069 -0.491 . . . . 0.0 109.901 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -45.03 -34.9 2.7 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.482 1.513 . . . . 0.0 114.733 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 92.1 m -77.51 -31.52 53.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.543 ' HG3' ' O ' ' B' ' 43' ' ' THR . 89.9 mtp -54.5 -51.35 65.39 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.426 ' H ' ' CD2' ' B' ' 48' ' ' LEU . 1.0 OUTLIER -57.11 -50.92 71.29 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 124.951 1.301 . . . . 0.0 111.385 177.446 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.95 -45.38 71.28 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.987 0.915 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -68.59 -49.16 61.45 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.779 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.27 -49.68 17.07 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.139 0.976 . . . . 0.0 109.483 172.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.95 -44.27 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.758 0.823 . . . . 0.0 111.572 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -60.95 -38.39 85.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.598 0.759 . . . . 0.0 110.528 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -83.76 -17.39 41.31 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.768 1.227 . . . . 0.0 111.765 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.19 0.23 41.08 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 117.273 -1.848 . . . . 0.0 116.928 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.92 -51.56 68.74 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 121.198 2.499 . . . . 0.0 112.208 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mp -116.72 167.35 11.16 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.614 1.966 . . . . 0.0 112.211 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -140.53 128.03 21.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.378 1.071 . . . . 0.0 109.554 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.25 148.65 22.0 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 119.016 0.825 . . . . 0.0 112.743 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -146.19 119.11 8.72 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.466 1.106 . . . . 0.0 110.029 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -83.12 96.83 8.52 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.46 94.89 9.33 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.456 1.902 . . . . 0.0 112.914 -175.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.46 -89.45 0.01 OUTLIER Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.853 1.216 . . . . 0.0 112.839 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -64.28 -79.79 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.024 0.93 . . . . 0.0 109.905 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 32.8 m -133.93 173.6 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.949 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.521 ' C ' ' CD1' ' B' ' 66' ' ' PHE . 0.0 OUTLIER -81.31 154.09 26.72 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 118.617 2.821 . . . . 0.0 118.617 -172.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 1.7 m -125.58 139.32 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.757 0 C-N-CA 126.167 1.787 . . . . 0.0 110.147 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.264 4.9 m-85 -94.36 121.22 35.67 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 105.811 -1.922 . . . . 0.0 105.811 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 74.9 p -101.16 110.16 60.52 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 126.409 1.884 . . . . 0.0 108.904 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -58.04 109.66 0.52 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.538 2.825 . . . . 0.0 111.589 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -72.62 -12.83 61.2 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.553 0.741 . . . . 0.0 111.769 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.343 0.318 0 C-N-CA 126.2 1.8 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 N--CA 1.456 -0.734 0 N-CA-C 113.146 0.402 . . . . 0.0 113.146 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -78.52 81.19 4.87 Favored 'General case' 0 C--N 1.341 0.198 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 61.7 mt -80.65 144.28 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 124.08 0.952 . . . . 0.0 111.349 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 83.3 p -137.02 -166.6 1.94 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.595 2.358 . . . . 0.0 106.421 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.28 -47.06 86.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -45.22 88.65 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.502 1.121 . . . . 0.0 113.71 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' B' ' 15' ' ' MET . 15.3 tt0 -65.31 -51.88 57.7 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.479 0.581 . . . . 0.0 110.548 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -62.9 -38.49 91.14 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.06 0.944 . . . . 0.0 111.406 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -54.05 -35.94 62.53 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 118.976 0.807 . . . . 0.0 111.311 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.84 -58.75 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' MET . . . . . 0.529 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 4.7 mtt -46.1 -43.57 14.86 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.297 1.439 . . . . 0.0 111.52 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -48.7 -48.12 40.48 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.316 1.846 . . . . 0.0 110.857 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.0 t -69.93 -47.18 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 118.755 0.707 . . . . 0.0 110.285 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.6 mt -57.37 -43.02 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.834 1.254 . . . . 0.0 112.775 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -62.44 -25.17 67.82 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -68.91 -45.16 71.6 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -73.27 154.63 40.1 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.612 1.565 . . . . 0.0 109.279 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 45.7 t -60.45 -58.84 6.76 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 54.6 m -128.81 -154.8 0.66 Allowed 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 101.618 -3.475 . . . . 0.0 101.618 165.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.343 14.5 tt -150.87 134.23 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 122.73 2.514 . . . . 0.0 112.439 172.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -93.0 134.29 35.28 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 101.652 -3.462 . . . . 0.0 101.652 175.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.98 -31.03 0.46 Allowed 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -176.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -41.73 80.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 121.374 1.897 . . . . 0.0 111.728 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -71.48 -38.92 71.18 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 123.32 0.648 . . . . 0.0 111.293 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -55.11 20.29 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 25.3 mt -57.78 -58.38 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 124.027 0.931 . . . . 0.0 108.703 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -43.4 -48.92 7.16 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.9 0.75 . . . . 0.0 112.957 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -74.8 -60.04 2.46 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.5 -27.7 67.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 92.3 p -69.86 -31.78 69.8 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.179 0.899 . . . . 0.0 110.806 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -67.74 -47.17 70.02 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.302 1.041 . . . . 0.0 110.495 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -81.07 -61.17 2.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.181 1.393 . . . . 0.0 112.092 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 38.2 m -92.79 162.15 14.24 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 124.837 1.255 . . . . 0.0 111.182 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 41.8 p -62.05 -63.89 1.11 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.207 1.003 . . . . 0.0 110.165 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -2.49 111.45 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 130.213 3.405 . . . . 0.0 115.184 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 89.4 p -69.66 170.35 9.83 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 124.437 1.095 . . . . 0.0 110.241 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -52.48 -47.81 25.12 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.996 2.464 . . . . 0.0 111.031 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -53.17 -50.78 63.91 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.919 1.288 . . . . 0.0 110.129 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.457 ' O ' ' HG3' ' B' ' 47' ' ' MET . 93.1 m -59.88 -53.92 52.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.668 0.787 . . . . 0.0 111.001 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -54.42 -64.79 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.42 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -46.64 -30.78 2.48 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.458 1.103 . . . . 0.0 113.875 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 59.6 m -86.85 -25.49 24.49 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.651 1.18 . . . . 0.0 113.686 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' B' ' 43' ' ' THR . 95.1 mtp -54.52 -48.2 72.22 Favored 'General case' 0 C--N 1.341 0.227 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 176.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -40.64 75.85 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 127.147 2.179 . . . . 0.0 112.995 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 tp -44.99 -46.26 11.05 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.969 1.307 . . . . 0.0 114.486 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -71.28 -39.81 71.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.603 0.638 . . . . 0.0 110.342 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mp -56.24 -33.24 65.22 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.51 0.724 . . . . 0.0 109.212 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -69.31 -46.98 75.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 121.315 -0.865 . . . . 0.0 110.343 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.79 -46.81 80.48 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -91.13 -17.61 25.85 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.825 0.85 . . . . 0.0 112.193 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.51 23.04 9.77 Favored Glycine 0 CA--C 1.531 1.089 0 N-CA-C 120.641 3.017 . . . . 0.0 120.641 172.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.54 -47.01 57.91 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 123.562 3.681 . . . . 0.0 109.553 175.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 mp -127.27 162.0 27.25 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.152 2.181 . . . . 0.0 108.926 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -141.29 149.67 41.55 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 124.148 0.979 . . . . 0.0 110.882 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.7 148.42 22.13 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 119.011 0.823 . . . . 0.0 112.095 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -142.57 115.06 8.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.992 1.317 . . . . 0.0 110.173 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -83.42 98.18 9.36 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.398 1.079 . . . . 0.0 110.694 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -86.75 138.3 31.73 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.958 2.103 . . . . 0.0 108.14 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -23.5 -48.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 C-N-CA 127.733 2.587 . . . . 0.0 114.883 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -66.36 -85.83 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 30.7 m -143.11 173.26 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.373 0 N-CA-C 102.712 -3.069 . . . . 0.0 102.712 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.94 153.71 27.38 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -174.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 m -123.11 139.5 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.157 0 C-N-CA 125.462 1.505 . . . . 0.0 109.475 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.25 18.8 m-85 -94.7 121.35 36.19 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 61.1 p -103.28 120.61 51.46 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 125.921 1.688 . . . . 0.0 112.198 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -62.98 113.41 2.0 Allowed 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 123.112 2.541 . . . . 0.0 110.724 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -77.97 -14.17 59.62 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.391 0.677 . . . . 0.0 111.348 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.395 0 C-N-CA 124.71 1.204 . . . . 0.0 109.671 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 110.191 -0.734 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -77.92 84.58 4.2 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.556 0.742 . . . . 0.0 109.28 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.7 mt -80.37 139.59 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.57 1.148 . . . . 0.0 111.214 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.7 p -129.55 -167.75 1.84 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 127.564 2.346 . . . . 0.0 106.699 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -62.46 -51.52 67.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.69 -39.43 68.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.511 1.124 . . . . 0.0 113.468 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.72 -45.88 64.11 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 118.299 0.5 . . . . 0.0 110.516 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.65 -41.96 99.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.963 0.505 . . . . 0.0 110.215 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.01 -47.07 68.59 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 123.608 0.763 . . . . 0.0 112.923 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -71.46 -47.09 60.65 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 118.614 0.643 . . . . 0.0 111.959 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mmt -46.78 -38.64 10.43 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.954 1.302 . . . . 0.0 112.743 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -59.95 -42.83 94.92 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.766 0.826 . . . . 0.0 111.85 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.41 -37.11 79.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.332 0 CA-C-N 118.853 0.752 . . . . 0.0 109.771 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.54 -44.85 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.199 0.599 . . . . 0.0 109.451 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -70.92 -23.89 62.35 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.015 0.926 . . . . 0.0 111.76 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -65.7 -47.81 74.12 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -76.22 163.66 26.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.055 1.342 . . . . 0.0 107.988 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -61.5 -59.27 5.49 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -129.74 -154.74 0.65 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 102.449 -3.167 . . . . 0.0 102.449 164.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.374 8.0 tt -150.99 152.07 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 122.207 2.276 . . . . 0.0 113.187 173.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -111.26 145.01 39.52 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 101.968 -3.345 . . . . 0.0 101.968 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -43.14 -32.98 0.8 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -45.32 89.82 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 121.166 1.803 . . . . 0.0 111.141 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -68.05 -39.04 83.12 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 119.278 -0.391 . . . . 0.0 110.06 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -58.05 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.1 mt -59.19 -52.56 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.705 0.802 . . . . 0.0 109.67 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -45.55 -41.94 10.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.563 0.745 . . . . 0.0 112.533 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.89 -57.64 3.55 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.093 0.957 . . . . 0.0 112.669 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.86 -54.68 41.58 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 126.319 1.848 . . . . 0.0 111.634 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.1 p -57.98 -31.05 66.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.387 0.675 . . . . 0.0 112.663 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -66.12 -49.28 68.04 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.951 0.9 . . . . 0.0 109.785 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -77.7 -61.6 1.94 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.274 1.43 . . . . 0.0 112.729 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 93.9 p -92.7 162.28 14.21 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.208 1.403 . . . . 0.0 112.113 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 87.4 m -59.26 -63.68 1.22 Allowed 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.423 1.089 . . . . 0.0 109.211 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -4.16 111.93 0.01 OUTLIER 'General case' 0 C--N 1.345 0.397 0 C-N-CA 129.564 3.146 . . . . 0.0 115.141 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 95.6 p -65.99 167.33 12.12 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 124.561 1.144 . . . . 0.0 110.312 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -50.14 -37.56 48.71 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 123.42 2.747 . . . . 0.0 112.038 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -66.63 -51.57 54.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.176 0.99 . . . . 0.0 110.54 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 62.0 m -56.6 -22.39 33.46 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.437 1.495 . . . . 0.0 112.196 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 71.1 mt -83.56 -49.92 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 123.995 0.918 . . . . 0.0 109.105 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -60.77 -33.48 73.03 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.116 1.366 . . . . 0.0 113.386 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 13.5 t -68.26 -41.25 81.35 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 53.2 mtt -53.65 -59.46 4.58 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.41 -40.51 62.22 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 127.859 2.464 . . . . 0.0 111.084 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.41 -49.79 74.11 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.396 0.678 . . . . 0.0 110.578 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -70.93 -38.47 72.9 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.498 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 mp -52.74 -49.3 65.73 Favored 'General case' 0 N--CA 1.423 -1.786 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.93 -38.7 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 118.546 0.612 . . . . 0.0 112.525 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -64.58 -46.47 82.58 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.501 0.591 . . . . 0.0 111.347 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -84.87 -12.77 52.78 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.403 1.081 . . . . 0.0 113.163 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.51 7.36 37.15 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 116.349 -2.362 . . . . 0.0 118.675 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.3 -55.09 39.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 122.445 3.123 . . . . 0.0 111.346 175.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.1 167.28 12.37 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.526 2.331 . . . . 0.0 112.163 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -140.89 127.33 19.95 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.541 1.136 . . . . 0.0 109.961 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.41 145.37 24.82 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.448 1.022 . . . . 0.0 113.377 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -146.64 133.29 19.89 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.865 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -82.94 98.92 9.47 Favored 'General case' 0 C--N 1.344 0.335 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -86.81 80.93 8.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.778 1.631 . . . . 0.0 111.997 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.16 -84.67 0.05 OUTLIER Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.447 1.022 . . . . 0.0 112.716 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -65.42 -78.39 0.05 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.779 0.832 . . . . 0.0 109.788 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.89 174.18 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 N-CA-C 104.112 -2.551 . . . . 0.0 104.112 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.66 154.13 27.52 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 118.605 2.817 . . . . 0.0 118.605 -172.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -119.81 134.88 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 CA-C-N 111.77 -2.468 . . . . 0.0 109.733 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.314 33.2 m-85 -94.28 127.17 39.99 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 71.4 p -114.34 117.09 43.59 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 123.608 0.763 . . . . 0.0 112.089 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -62.21 105.43 0.4 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 124.28 3.32 . . . . 0.0 111.182 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -75.68 -10.39 59.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.534 0.734 . . . . 0.0 112.168 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.343 0.317 0 C-N-CA 125.564 1.546 . . . . 0.0 110.971 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 N--CA 1.456 -0.699 0 CA-C-O 120.819 0.258 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.89 104.15 2.85 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.176 0.99 . . . . 0.0 108.65 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 mm -121.4 151.69 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 125.248 1.419 . . . . 0.0 108.896 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -144.27 -178.06 5.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 126.907 2.083 . . . . 0.0 107.555 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.05 -45.13 93.65 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.2 96.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.375 1.07 . . . . 0.0 111.847 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -75.07 -26.75 59.58 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.053 0.541 . . . . 0.0 110.594 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.95 -36.9 84.62 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -56.72 -40.03 74.97 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.193 0.597 . . . . 0.0 111.225 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.5 m -76.71 -41.17 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 122.62 0.368 . . . . 0.0 110.665 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' MET . . . . . 0.402 ' HB3' ' CZ3' ' B' ' 19' ' ' TRP . 0.3 OUTLIER -58.02 -37.17 73.82 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.737 0.815 . . . . 0.0 110.368 177.426 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.6 -45.47 85.25 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.459 1.104 . . . . 0.0 110.001 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.62 ' O ' ' HD2' ' B' ' 21' ' ' HIS . 1.5 t -62.32 -39.01 82.61 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 C-N-CA 123.755 0.822 . . . . 0.0 110.161 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.31 -49.63 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . 0.402 ' CZ3' ' HB3' ' B' ' 15' ' ' MET . 7.7 m0 -68.23 -24.32 64.9 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.837 -0.601 . . . . 0.0 112.445 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -65.3 -46.02 82.06 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.62 ' HD2' ' O ' ' B' ' 17' ' ' VAL . 62.6 m-70 -76.54 158.41 31.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.991 1.316 . . . . 0.0 109.052 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -59.34 -58.97 6.28 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 65.9 p -129.23 -154.77 0.66 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 164.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.341 8.9 tt -151.0 152.35 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 120.803 1.638 . . . . 0.0 110.555 172.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -107.24 143.78 34.98 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 101.374 -3.565 . . . . 0.0 101.374 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.63 -34.24 0.85 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.764 2.826 . . . . 0.0 112.31 -178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -56.48 6.77 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.763 1.62 . . . . 0.0 109.291 174.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -51.61 -33.52 33.31 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.482 0.713 . . . . 0.0 111.05 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -59.73 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.6 mt -59.02 -52.17 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 118.814 0.734 . . . . 0.0 110.829 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -46.29 -53.4 10.82 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.155 0.982 . . . . 0.0 113.183 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.43 -56.31 13.17 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.461 0.573 . . . . 0.0 112.28 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 mp -53.82 -40.99 66.86 Favored 'General case' 0 N--CA 1.432 -1.36 0 C-N-CA 126.948 2.099 . . . . 0.0 111.951 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 96.9 p -69.28 -35.26 75.85 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.019 0.928 . . . . 0.0 112.522 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -72.42 -46.57 54.55 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.193 0.597 . . . . 0.0 110.624 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 51.4 p -70.83 -63.48 1.09 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.253 1.021 . . . . 0.0 111.864 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -92.9 162.73 13.96 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.222 1.409 . . . . 0.0 111.698 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 44.2 p -66.83 -106.66 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.992 1.317 . . . . 0.0 109.428 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 15.3 m0 56.45 -131.05 1.71 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.399 1.0 . . . . 0.0 111.181 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 27.8 t 177.02 156.01 0.44 Allowed Pre-proline 0 CA--C 1.534 0.364 0 C-N-CA 126.739 2.016 . . . . 0.0 106.9 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -49.08 -36.49 35.82 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.08 2.52 . . . . 0.0 112.491 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -77.29 -36.47 54.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.409 1.083 . . . . 0.0 111.396 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 42.3 m -64.32 -49.31 72.24 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 123.145 0.578 . . . . 0.0 110.645 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mt -45.94 -38.86 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 125.337 1.455 . . . . 0.0 112.308 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -52.79 -37.41 59.68 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.253 1.021 . . . . 0.0 113.511 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -68.69 -42.63 77.52 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.612 1.096 . . . . 0.0 112.066 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 56.7 mtt -57.73 -46.5 84.35 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.96 -36.92 80.67 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.428 0.691 . . . . 0.0 109.346 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' B' ' 53' ' ' LYS . 0.9 OUTLIER -73.91 -29.5 62.08 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.911 0.778 . . . . 0.0 112.942 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -59.8 -43.75 94.31 Favored 'General case' 0 C--N 1.342 0.281 0 CA-C-N 120.372 1.442 . . . . 0.0 107.991 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 mp -66.03 -65.51 0.67 Allowed 'General case' 0 N--CA 1.427 -1.587 0 C-N-CA 128.952 2.901 . . . . 0.0 110.614 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.78 -19.96 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 126.796 2.038 . . . . 0.0 112.912 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' B' ' 49' ' ' LEU . 26.9 ttpp -55.0 -39.3 68.91 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -105.4 -2.81 23.37 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.083 1.353 . . . . 0.0 111.25 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.54 32.06 8.42 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-O 117.484 -1.731 . . . . 0.0 113.245 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.36 -43.4 33.52 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.326 1.563 . . . . 0.0 114.374 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.75 153.02 24.06 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -90.01 129.46 36.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -94.19 129.17 40.9 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.434 1.494 . . . . 0.0 109.123 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -146.2 110.97 5.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 123.449 0.468 . . . . 0.0 110.191 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -80.04 93.03 5.68 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 124.124 1.916 . . . . 0.0 106.955 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -99.24 137.38 37.83 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 110.942 -2.845 . . . . 0.0 110.855 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 15.21 -77.22 0.0 OUTLIER Glycine 0 C--N 1.344 1.011 0 C-N-CA 129.18 3.276 . . . . 0.0 115.396 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -69.78 -82.19 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.478 0.711 . . . . 0.0 111.262 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -135.38 168.59 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.6 145.1 30.8 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 120.494 1.497 . . . . 0.0 113.889 -172.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.49 139.46 24.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 127.693 2.397 . . . . 0.0 111.982 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -97.11 131.09 44.22 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 72.7 p -131.56 125.19 20.48 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 123.526 0.73 . . . . 0.0 109.625 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -48.63 96.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 124.734 3.622 . . . . 0.0 114.382 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -73.96 -17.83 60.96 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.67 0.788 . . . . 0.0 110.171 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.344 0.346 0 C-N-CA 126.43 1.892 . . . . 0.0 110.127 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo . . . . . 0 N--CA 1.458 -0.594 0 N-CA-C 112.873 0.297 . . . . 0.0 112.873 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -81.75 93.38 6.8 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.943 0.897 . . . . 0.0 109.095 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mm -80.86 141.64 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.783 1.233 . . . . 0.0 108.742 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -123.72 176.04 6.5 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.393 1.877 . . . . 0.0 107.39 177.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.24 -48.59 80.79 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.26 74.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.861 0.864 . . . . 0.0 111.227 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -67.69 -60.19 2.74 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -49.95 -38.68 37.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.06 1.344 . . . . 0.0 112.102 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -62.01 -47.83 83.0 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.873 0.76 . . . . 0.0 110.794 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 51.4 t -67.88 -57.09 10.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 C-N-CA 124.145 0.978 . . . . 0.0 109.387 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 79.7 mmm -48.05 -42.62 28.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.562 1.545 . . . . 0.0 111.685 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -62.82 -43.33 99.09 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 125.635 1.574 . . . . 0.0 109.915 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 t -65.03 -36.76 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.181 0.593 . . . . 0.0 109.435 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -69.36 -42.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -66.28 -24.61 66.59 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 126.668 1.987 . . . . 0.0 111.134 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -69.63 -47.46 63.34 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.91 164.25 26.93 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.98 1.312 . . . . 0.0 107.715 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.3 p -64.94 -60.41 3.09 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 105.556 -2.016 . . . . 0.0 105.556 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 72.3 m -130.87 -155.58 0.7 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 103.375 -2.824 . . . . 0.0 103.375 160.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.29 9.2 tt -151.53 151.54 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 121.527 1.967 . . . . 0.0 112.567 174.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -99.2 178.32 4.94 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 104.413 -2.44 . . . . 0.0 104.413 172.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.1 m -63.66 -56.04 18.79 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' B' ' 31' ' ' LYS . 2.9 m120 -69.26 -16.69 63.64 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 117.295 -1.762 . . . . 0.0 114.34 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -72.66 -43.4 63.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.66 -54.24 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-O 118.902 -0.571 . . . . 0.0 109.742 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.4 mt -54.17 -54.71 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 118.579 0.627 . . . . 0.0 109.948 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 17.1 tppt? -50.46 -49.09 56.11 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.31 -56.22 8.16 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -41.28 63.27 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.051 0.94 . . . . 0.0 111.678 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 66.6 m -61.68 -29.33 70.02 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -73.58 -48.94 28.92 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.401 0.546 . . . . 0.0 110.208 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 47.3 p -70.98 -64.61 0.87 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.348 1.059 . . . . 0.0 111.288 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m -92.87 162.33 14.14 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.425 1.49 . . . . 0.0 111.418 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 80.5 m -58.45 -68.12 0.29 Allowed 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.274 1.029 . . . . 0.0 109.842 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -2.59 113.57 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 129.342 3.057 . . . . 0.0 116.579 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 60.2 p -76.93 176.46 3.43 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 124.481 1.112 . . . . 0.0 109.221 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -52.43 -42.53 60.52 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 123.038 2.492 . . . . 0.0 112.964 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -63.21 -53.43 53.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.839 0.856 . . . . 0.0 109.508 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 8.0 m -50.36 -36.02 30.59 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.478 1.911 . . . . 0.0 114.109 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -77.67 -44.57 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 124.354 1.062 . . . . 0.0 112.371 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -50.19 -26.04 4.21 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.4 t -68.73 -46.35 69.14 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 119.757 1.162 . . . . 0.0 111.913 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 64.9 mtm -53.58 -59.63 4.35 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 42.0 mt -46.54 -58.21 4.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.778 1.231 . . . . 0.0 110.891 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -53.68 -40.38 65.9 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.293 1.437 . . . . 0.0 112.353 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -77.47 -40.22 43.89 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.321 1.048 . . . . 0.0 110.065 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.86 -33.28 74.93 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 123.542 0.737 . . . . 0.0 109.823 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.42 -38.16 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.091 0.956 . . . . 0.0 110.143 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -75.7 -46.34 31.78 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.892 0.877 . . . . 0.0 111.36 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -77.78 -17.64 57.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.491 1.117 . . . . 0.0 112.195 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.11 14.96 55.35 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 116.786 -2.119 . . . . 0.0 117.503 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.81 -34.08 64.44 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 121.874 2.837 . . . . 0.0 110.424 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 84.5 mt -131.58 164.28 26.2 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.431 1.493 . . . . 0.0 108.992 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -141.51 136.67 31.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.395 1.078 . . . . 0.0 111.015 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 143.25 26.53 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-N 118.915 0.78 . . . . 0.0 112.087 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -146.36 133.75 20.74 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 123.519 0.727 . . . . 0.0 110.502 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -83.16 119.77 24.95 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.853 0.861 . . . . 0.0 109.721 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -127.18 78.69 1.83 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.415 1.486 . . . . 0.0 109.486 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 40.24 -85.8 0.01 OUTLIER Glycine 0 CA--C 1.531 1.078 0 C-N-CA 126.736 2.112 . . . . 0.0 115.388 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -51.92 -53.7 37.95 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.153 1.781 . . . . 0.0 113.341 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -152.88 149.62 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 N-CA-C 104.25 -2.5 . . . . 0.0 104.25 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' B' ' 66' ' ' PHE . 0.1 OUTLIER -81.28 152.71 27.46 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 173.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 87.1 t -125.78 138.36 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.37 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.961 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.265 33.9 m-85 -93.31 120.59 33.77 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 101.768 -3.419 . . . . 0.0 101.768 175.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 80.4 p -112.61 135.67 21.53 Favored Pre-proline 0 N--CA 1.451 -0.392 0 C-N-CA 124.927 1.291 . . . . 0.0 108.624 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.73 116.8 4.8 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 122.419 2.079 . . . . 0.0 111.331 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -62.23 -29.57 70.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.886 1.674 . . . . 0.0 111.271 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 pt . . . . . 0 N--CA 1.45 -0.443 0 C-N-CA 126.1 1.76 . . . . 0.0 108.652 -177.545 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo . . . . . 0 N--CA 1.458 -0.568 0 CA-C-O 119.922 -0.116 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -78.43 81.43 4.77 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 59.0 mt -80.78 144.83 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 124.538 1.135 . . . . 0.0 111.84 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 84.1 p -135.0 -169.28 2.33 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 127.866 2.466 . . . . 0.0 106.686 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -61.23 -47.95 83.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.93 94.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.169 0.987 . . . . 0.0 113.399 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.575 ' O ' ' HG3' ' B' ' 15' ' ' MET . 13.6 tt0 -64.49 -52.39 58.14 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.567 0.622 . . . . 0.0 110.513 -178.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -41.25 97.68 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.594 1.158 . . . . 0.0 111.829 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -52.7 -36.07 56.64 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 118.51 0.595 . . . . 0.0 111.831 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.93 -58.47 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.876 0.87 . . . . 0.0 109.015 177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' MET . . . . . 0.575 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 24.4 mtp -45.99 -44.9 15.41 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 125.548 1.539 . . . . 0.0 111.226 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -47.89 -49.98 28.05 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.885 1.674 . . . . 0.0 110.825 177.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 t -68.39 -48.17 74.15 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 CA-C-N 118.784 0.72 . . . . 0.0 110.481 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mt -57.0 -40.09 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 124.394 1.078 . . . . 0.0 112.017 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -65.78 -23.56 66.74 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.95 -46.94 64.19 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' HIS . . . . . 0.831 ' CD2' ' O ' ' B' ' 23' ' ' SER . 2.7 t60 -70.89 153.44 42.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.159 1.783 . . . . 0.0 109.363 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -59.68 -58.88 6.67 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' SER . . . . . 0.831 ' O ' ' CD2' ' B' ' 21' ' ' HIS . 33.9 m -128.8 -155.08 0.68 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 101.135 -3.654 . . . . 0.0 101.135 164.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.321 13.2 tt -150.91 137.95 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 121.911 2.141 . . . . 0.0 112.221 172.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -96.25 134.45 39.35 Favored 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 100.738 -3.801 . . . . 0.0 100.738 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.02 -32.89 0.72 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.902 2.081 . . . . 0.0 113.458 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -41.69 87.04 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 120.044 1.293 . . . . 0.0 110.933 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -71.74 -36.5 70.46 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.414 0.685 . . . . 0.0 111.498 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -55.04 19.0 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 26.5 mt -59.61 -52.62 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 124.19 0.996 . . . . 0.0 109.178 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -46.52 -41.81 14.75 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 123.543 0.527 . . . . 0.0 112.233 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -82.87 -61.64 1.82 Allowed 'General case' 0 C--N 1.343 0.318 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.16 -38.22 85.68 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -176.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 6.9 t -66.25 -27.74 68.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.362 0.983 . . . . 0.0 112.924 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -78.71 -46.84 18.11 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.077 0.551 . . . . 0.0 110.468 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.1 p -71.92 -56.62 5.36 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.223 1.009 . . . . 0.0 111.392 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 40.5 m -92.69 162.1 14.29 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.722 1.209 . . . . 0.0 110.18 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -60.66 -58.22 9.38 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.096 0.958 . . . . 0.0 110.691 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -11.02 118.98 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 130.126 3.37 . . . . 0.0 115.973 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 40.2 t -67.63 158.47 82.67 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 125.412 1.485 . . . . 0.0 109.214 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -49.36 -42.15 41.52 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.833 2.356 . . . . 0.0 112.247 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -65.96 -40.29 91.16 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.741 0.816 . . . . 0.0 111.518 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.561 ' O ' ' HG3' ' B' ' 47' ' ' MET . 39.2 m -59.71 -46.62 88.54 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.112 0.565 . . . . 0.0 109.778 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.76 -63.19 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.511 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -42.42 -34.74 0.87 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.414 1.486 . . . . 0.0 114.729 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 96.4 m -84.0 -27.49 28.38 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.809 0.843 . . . . 0.0 113.243 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.561 ' HG3' ' O ' ' B' ' 43' ' ' THR . 94.0 mtp -53.01 -48.23 67.69 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LEU . . . . . 0.413 ' H ' ' CD2' ' B' ' 48' ' ' LEU . 0.9 OUTLIER -57.84 -44.79 86.71 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 126.347 1.859 . . . . 0.0 112.331 177.604 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 20.4 tp -43.47 -52.83 5.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.189 1.396 . . . . 0.0 114.41 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -69.59 -40.16 76.86 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.27 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 mp -54.82 -34.06 62.34 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 119.644 1.111 . . . . 0.0 109.932 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.05 -29.32 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 123.54 0.736 . . . . 0.0 111.247 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -79.3 -46.5 17.6 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.242 1.017 . . . . 0.0 111.275 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -86.33 -17.53 34.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.468 1.507 . . . . 0.0 112.726 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.17 11.29 30.01 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 120.233 2.853 . . . . 0.0 120.233 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.5 -51.17 46.08 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 123.598 3.699 . . . . 0.0 109.907 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.54 166.29 12.27 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.116 1.766 . . . . 0.0 110.999 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -141.05 134.5 29.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.172 1.389 . . . . 0.0 109.531 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.4 149.39 21.28 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 119.578 1.081 . . . . 0.0 112.626 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -146.2 121.34 10.14 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.04 0.936 . . . . 0.0 110.563 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -82.92 94.97 7.83 Favored 'General case' 0 C--N 1.343 0.304 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -93.26 95.82 9.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.741 1.616 . . . . 0.0 112.494 -176.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.73 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.528 0.887 0 C-N-CA 125.409 1.481 . . . . 0.0 114.105 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -80.51 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.469 1.108 . . . . 0.0 109.486 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.05 173.46 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.017 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' B' ' 66' ' ' PHE . 0.0 OUTLIER -81.3 153.89 26.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 -173.363 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 m -125.87 139.69 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.764 0 C-N-CA 126.607 1.963 . . . . 0.0 110.328 173.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.27 8.5 m-85 -94.15 121.26 35.46 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 73.2 p -100.53 113.56 65.56 Favored Pre-proline 0 N--CA 1.452 -0.361 0 C-N-CA 126.614 1.966 . . . . 0.0 109.759 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -57.33 106.44 0.23 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.484 2.789 . . . . 0.0 110.748 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -71.87 -9.34 58.18 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.735 0.814 . . . . 0.0 112.213 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.344 0.345 0 C-N-CA 125.188 1.395 . . . . 0.0 110.061 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.138 0 O4'-C1'-N19 110.722 3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.019 0 P-O3'-C3' 123.401 3.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 0 P-O3'-C3' 124.081 3.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.081 0 P-O3'-C3' 124.343 3.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.442 1 O4'-C1'-N19 113.702 7.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' DA' . . . . . 0.647 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.531 2.517 3 O4'-C1'-N19 114.113 7.891 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' DT' . . . . . 0.809 ' C7 ' HG22 ' B' ' 26' ' ' THR . . . . . . . . 0 C5'--C4' 1.535 2.954 2 P-O3'-C3' 126.331 5.526 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.634 1 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.295 2 P-O3'-C3' 125.992 5.243 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 O4'-C4'-C3' 109.283 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.779 4.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.084 1 O4'-C1'-N19 113.38 6.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.712 H2'' ' H73' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.055 1 O4'-C1'-N19 112.365 5.706 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.712 ' H73' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.539 3.543 2 O4'-C4'-C3' 109.981 4.381 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . 0.975 ' C8 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.54 3.651 1 C4'-C3'-C2' 98.492 -4.708 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 0.784 ' H71' ' HB ' ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.533 2.81 1 O4'-C1'-N19 115.342 9.428 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 2 O4'-C1'-N19 112.28 5.6 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.725 3 P-O3'-C3' 125.096 4.496 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.395 2 O4'-C1'-N19 112.988 6.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 2 C5'-C4'-C3' 108.12 -4.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 1 O4'-C1'-N19 113.033 6.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 0 P-O3'-C3' 123.841 3.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 2 O4'-C1'-N19 112.142 5.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.74 2 O4'-C1'-N19 111.802 5.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tmm? . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -122.59 175.64 6.37 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.988 1.315 . . . . 0.0 110.159 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -84.15 129.41 34.9 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.42 1.088 . . . . 0.0 109.836 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.69 -62.41 0.42 Allowed Pre-proline 0 CA--C 1.537 0.48 0 CA-C-O 118.078 -0.963 . . . . 0.0 109.152 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -80.3 146.81 17.84 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.563 2.175 . . . . 0.0 110.782 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.566 ' O ' H5'' ' C' ' 13' ' ' ' DA' . 5.9 mp0 -84.19 109.36 17.68 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 35.6 mm -81.06 152.16 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.639 1.176 . . . . 0.0 111.41 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t -149.33 -174.62 4.71 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.542 2.337 . . . . 0.0 107.375 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.73 -61.19 2.8 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.316 0.646 . . . . 0.0 110.04 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -31.1 72.05 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.539 0.736 . . . . 0.0 112.599 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.661 ' O ' ' HG3' ' B' ' 15' ' ' MET . 0.0 OUTLIER -62.65 -52.76 62.07 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.414 0.685 . . . . 0.0 110.45 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.51 -45.99 84.89 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.226 1.01 . . . . 0.0 112.147 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -48.15 -47.33 34.94 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 m -69.38 -40.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-N 118.562 0.619 . . . . 0.0 111.481 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.661 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 27.0 mtp -51.64 -45.58 63.39 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.475 1.11 . . . . 0.0 110.499 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -51.31 -48.58 62.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 126.221 1.808 . . . . 0.0 111.168 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 t -65.94 -38.48 82.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.279 0 C-N-CA 123.284 0.634 . . . . 0.0 110.523 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.53 -44.14 90.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -68.95 -27.14 65.47 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.632 1.173 . . . . 0.0 111.705 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.35 -47.36 82.46 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -79.36 167.74 20.46 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.448 1.499 . . . . 0.0 107.999 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 43.6 p -63.71 -59.49 4.52 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 69.6 m -129.84 -154.55 0.64 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 102.475 -3.157 . . . . 0.0 102.475 163.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.356 10.3 tt -150.84 151.95 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 122.178 2.263 . . . . 0.0 113.371 174.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -110.98 148.27 32.89 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.809 HG22 ' C7 ' ' A' ' 7' ' ' ' DT' . 0.7 OUTLIER -43.13 -36.29 1.63 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -177.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -45.33 86.39 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 120.996 1.726 . . . . 0.0 111.086 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.92 -39.37 87.36 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -59.43 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 37.8 mt -60.35 -49.93 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.445 0.698 . . . . 0.0 110.461 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -48.98 -38.75 24.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 123.551 0.532 . . . . 0.0 112.339 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.26 -56.66 3.78 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.439 0.696 . . . . 0.0 112.371 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.01 -39.89 66.53 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 126.479 1.911 . . . . 0.0 112.044 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 95.4 p -67.53 -39.72 85.04 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.944 0.898 . . . . 0.0 112.511 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -70.99 -45.17 64.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.345 0.658 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.2 p -72.02 -65.29 0.79 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.869 0.867 . . . . 0.0 111.471 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 56.5 m -96.32 162.3 13.56 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.93 1.292 . . . . 0.0 111.769 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 35.6 p -54.72 -68.1 0.21 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.742 1.217 . . . . 0.0 110.286 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -3.6 115.79 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 129.871 3.268 . . . . 0.0 116.512 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 76.9 p -77.61 173.21 7.94 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 124.526 1.13 . . . . 0.0 109.411 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -51.72 -32.34 45.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.479 2.786 . . . . 0.0 113.278 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.08 -57.29 4.67 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.704 0.801 . . . . 0.0 108.895 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.473 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 11.9 m -51.07 -40.71 58.98 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 127.431 2.292 . . . . 0.0 113.076 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 22.7 mt -57.38 -49.35 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 125.404 1.482 . . . . 0.0 113.141 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -56.25 -30.94 63.07 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 118.411 2.745 . . . . 0.0 118.411 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.975 HG21 ' C8 ' ' C' ' 15' ' ' ' DG' . 11.1 t -61.92 -43.62 98.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 120.828 1.649 . . . . 0.0 111.235 178.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -58.98 -25.59 63.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.93 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -87.65 -60.5 1.96 Allowed 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.339 1.056 . . . . 0.0 111.503 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.12 -54.21 46.11 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 126.26 1.824 . . . . 0.0 114.223 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.688 ' HB2' ' H72' ' C' ' 14' ' ' ' DT' . 18.3 mmt180 -66.47 -43.67 84.84 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 118.09 0.405 . . . . 0.0 111.635 -176.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 mp -51.15 -52.94 39.14 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 124.903 1.281 . . . . 0.0 107.986 173.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -59.89 -42.83 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 118.153 0.433 . . . . 0.0 111.666 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.52 -37.57 81.56 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.627 0.771 . . . . 0.0 110.916 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -94.0 -9.41 36.96 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.899 1.28 . . . . 0.0 113.623 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.15 0.64 41.35 Favored Glycine 0 CA--C 1.533 1.216 0 CA-C-O 117.155 -1.914 . . . . 0.0 117.592 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.07 -51.25 70.86 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 121.44 2.62 . . . . 0.0 112.829 178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 mp -122.45 166.98 13.9 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.96 2.504 . . . . 0.0 109.953 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -140.61 128.4 21.76 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.523 0.729 . . . . 0.0 111.153 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.53 150.01 20.78 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 119.01 0.823 . . . . 0.0 111.715 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -146.12 126.43 13.95 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 123.998 0.919 . . . . 0.0 110.112 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -83.57 93.13 7.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -86.97 138.03 31.86 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 126.753 2.021 . . . . 0.0 110.259 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -4.45 -68.7 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 C-N-CA 128.92 3.152 . . . . 0.0 115.928 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -72.41 -79.39 0.08 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.456 0.628 . . . . 0.0 110.258 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.647 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 34.0 m -133.4 173.69 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 N-CA-C 105.535 -2.024 . . . . 0.0 105.535 177.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.424 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -80.36 153.23 28.48 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -173.393 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.18 132.86 70.12 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.543 0 CA-C-N 112.112 -2.313 . . . . 0.0 109.9 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -95.0 120.98 36.13 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 103.46 -2.793 . . . . 0.0 103.46 174.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 73.2 p -112.9 128.57 25.44 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 125.384 1.473 . . . . 0.0 111.039 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -57.02 113.31 1.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.797 2.998 . . . . 0.0 111.395 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -76.38 -9.29 58.54 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.126 0.971 . . . . 0.0 111.465 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.95 150.55 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 127.479 2.311 . . . . 0.0 107.471 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -150.56 -52.4 0.14 Allowed 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.928 0.891 . . . . 0.0 110.715 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -64.89 -50.07 68.01 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.151 0.98 . . . . 0.0 110.284 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 29.4 p -69.08 -75.6 0.11 Allowed 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.792 1.237 . . . . 0.0 111.057 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 48.89 55.58 9.01 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.157 1.383 . . . . 0.0 109.491 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 10.0 t80 65.92 105.9 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 127.143 2.177 . . . . 0.0 111.854 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 47.4 mt -96.54 94.99 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -80.18 99.65 7.89 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.29 148.56 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.896 0.878 . . . . 0.0 110.705 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -76.8 165.06 25.23 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.896 0.879 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 62.9 m . . . . . 0 C--O 1.251 1.137 0 CA-C-O 117.334 -1.317 . . . . 0.0 110.064 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C4'-C3' 108.806 3.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 0 P-O3'-C3' 124.194 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.959 0 P-O3'-C3' 124.19 3.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 1 O4'-C1'-N19 111.191 4.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ' DT' . . . . . 0.668 " H3'" HD21 ' B' ' 27' ' ' ASN . . . . . . . . 0 C5'--C4' 1.54 3.604 2 O5'-C5'-C4' 116.301 4.358 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ' DA' . . . . . 0.798 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.532 2.634 3 P-O3'-C3' 126.311 5.509 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 3 P-O3'-C3' 127.052 6.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.227 3 O4'-C1'-N19 114.752 8.69 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.082 1 P-O3'-C3' 125.208 4.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.106 0 P-O3'-C3' 124.198 3.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.635 1 P-O3'-C3' 125.033 4.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.594 1 O4'-C1'-N19 118.239 13.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.586 H2'' ' H71' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C1'-N19 110.826 3.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.696 " H3'" ' HE2' ' B' ' 47' ' ' MET . . . . . . . . 1 C5'--C4' 1.543 4.039 2 P-O3'-C3' 125.166 4.555 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . 0.843 ' C8 ' HG22 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.543 3.944 2 O4'-C1'-N19 111.702 4.878 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 1.008 ' H72' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.533 2.806 2 O4'-C1'-N19 116.099 10.374 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.104 1 O4'-C1'-N19 111.093 4.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.114 2 O4'-C1'-N19 112.99 6.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.364 2 O4'-C1'-N19 112.704 6.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.261 1 P-O3'-C3' 126.324 5.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 1 P-O3'-C3' 125.184 4.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 2 O4'-C1'-N19 112.917 6.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.868 1 O4'-C1'-N19 112.358 5.698 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.949 3.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.916 -0.088 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 57.2 57.73 4.34 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 125.171 1.388 . . . . 0.0 110.324 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -73.63 104.9 4.73 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.869 0.868 . . . . 0.0 109.217 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 41.3 pt -73.48 163.3 69.42 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 124.037 0.935 . . . . 0.0 110.239 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -59.79 141.94 97.73 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.268 2.646 . . . . 0.0 111.083 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -78.12 76.57 4.63 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -81.12 136.56 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.704 0.802 . . . . 0.0 109.944 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 30.7 t -132.76 -134.75 0.18 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -82.54 -56.64 3.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.62 -44.0 36.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.628 1.571 . . . . 0.0 114.741 -177.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -72.99 -47.55 44.2 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.65 -35.26 72.25 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.829 0.852 . . . . 0.0 111.419 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -55.8 -46.95 77.9 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.219 0.918 . . . . 0.0 109.516 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.76 -60.25 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 124.117 0.967 . . . . 0.0 110.212 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.9 mmt -51.4 -39.74 57.83 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.958 1.303 . . . . 0.0 112.625 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.62 -53.35 55.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.227 1.411 . . . . 0.0 109.828 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.02 -47.93 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 124.234 1.014 . . . . 0.0 110.091 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.32 -42.15 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 123.361 0.664 . . . . 0.0 111.044 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -67.15 -19.98 65.68 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -68.83 -48.23 64.05 Favored 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' B' ' 23' ' ' SER . 3.2 t-160 -72.76 152.43 41.61 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.033 1.733 . . . . 0.0 108.992 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.414 ' H ' ' HD2' ' B' ' 21' ' ' HIS . 46.7 t -57.47 -58.27 9.0 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.46 ' O ' ' CG ' ' B' ' 21' ' ' HIS . 28.6 p -128.35 -154.5 0.64 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 101.647 -3.464 . . . . 0.0 101.647 166.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.336 14.7 tt -150.52 141.5 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 122.852 2.569 . . . . 0.0 112.573 172.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -102.7 127.85 49.65 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 100.634 -3.839 . . . . 0.0 100.634 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -42.26 -29.35 0.25 Allowed 'General case' 0 C--O 1.227 -0.085 0 C-N-CA 127.755 2.422 . . . . 0.0 114.708 -173.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.668 HD21 " H3'" ' A' ' 5' ' ' ' DT' . 2.6 p30 -61.55 -38.56 87.92 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 118.683 -1.207 . . . . 0.0 111.816 177.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -73.21 -37.83 66.31 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.534 0.733 . . . . 0.0 110.923 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -56.17 17.31 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -60.46 -52.8 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 123.769 0.828 . . . . 0.0 109.857 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 60.0 tptt -49.79 -36.96 28.06 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -84.78 -58.61 2.64 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 118.957 0.799 . . . . 0.0 112.457 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.34 -35.24 73.48 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 61.6 m -65.41 -32.41 74.02 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 119.301 0.955 . . . . 0.0 112.583 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -78.22 -44.31 25.99 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.882 0.873 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 61.6 p -74.83 -58.29 3.38 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.645 0.778 . . . . 0.0 111.247 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 46.5 m -92.72 162.05 14.3 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.537 1.135 . . . . 0.0 110.46 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.7 p -59.38 -56.29 23.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.052 0.941 . . . . 0.0 110.364 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -15.92 119.86 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 129.703 3.201 . . . . 0.0 116.05 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -76.43 175.43 4.35 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 125.252 1.421 . . . . 0.0 108.961 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -52.62 -45.11 42.46 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.913 2.409 . . . . 0.0 112.99 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.614 ' O ' ' H71' ' C' ' 16' ' ' ' DT' . 53.9 mtmt -62.55 -52.84 61.86 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.701 0.8 . . . . 0.0 110.458 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 1.008 ' HA ' ' H72' ' C' ' 16' ' ' ' DT' . 10.6 m -47.45 -29.85 2.99 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.88 2.072 . . . . 0.0 114.226 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 75.6 mt -83.05 -47.02 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 124.297 1.039 . . . . 0.0 111.683 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -43.81 -35.89 2.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.974 1.709 . . . . 0.0 114.689 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.843 HG22 ' C8 ' ' C' ' 15' ' ' ' DG' . 12.5 t -59.74 -42.7 93.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 118.673 0.67 . . . . 0.0 112.171 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.696 ' HE2' " H3'" ' C' ' 14' ' ' ' DT' . 34.0 mtt -54.46 -55.03 33.07 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.096 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.505 ' H ' ' CD2' ' B' ' 48' ' ' LEU . 0.7 OUTLIER -56.2 -57.28 12.86 Favored 'General case' 0 N--CA 1.435 -1.208 0 C-N-CA 123.32 0.648 . . . . 0.0 111.525 178.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -52.51 -51.59 58.77 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.438 1.095 . . . . 0.0 112.58 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.589 ' HB2' ' H72' ' C' ' 14' ' ' ' DT' . 17.2 mmt180 -68.39 -48.39 64.83 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 118.562 -0.733 . . . . 0.0 111.211 -178.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 mp -50.08 -41.21 47.65 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 119.108 0.867 . . . . 0.0 109.0 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 64.8 mt -69.42 -35.78 68.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 118.925 0.784 . . . . 0.0 111.57 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -67.49 -46.48 72.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.935 0.894 . . . . 0.0 111.316 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -83.19 -17.71 41.88 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.742 0.817 . . . . 0.0 111.893 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.17 5.41 40.55 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-O 116.701 -2.166 . . . . 0.0 117.836 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.09 95.25 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 122.104 2.952 . . . . 0.0 111.025 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.41 166.89 12.11 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.576 1.95 . . . . 0.0 111.27 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -141.27 131.67 25.2 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.46 1.104 . . . . 0.0 109.834 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.34 148.06 22.38 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.98 1.263 . . . . 0.0 111.518 177.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -146.55 129.3 16.19 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 124.714 1.206 . . . . 0.0 110.956 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -83.78 108.88 17.09 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 123.525 0.73 . . . . 0.0 109.707 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -98.05 137.76 36.37 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 127.292 2.237 . . . . 0.0 107.694 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -14.59 -59.77 0.01 OUTLIER Glycine 0 C--N 1.344 0.979 0 C-N-CA 128.464 2.935 . . . . 0.0 115.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -68.72 -83.77 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.798 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 24.3 m -136.33 172.65 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 125.177 1.391 . . . . 0.0 107.3 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.59 150.88 27.93 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -173.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -122.88 139.48 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.317 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.808 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -95.46 120.92 36.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 112.68 -2.055 . . . . 0.0 105.639 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 44.6 p -109.21 123.79 35.83 Favored Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 125.582 1.553 . . . . 0.0 111.9 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -59.52 111.77 1.04 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.343 2.695 . . . . 0.0 110.805 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -75.85 -13.28 60.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.579 0.752 . . . . 0.0 111.173 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.15 116.99 54.07 Favored 'Isoleucine or valine' 0 C--N 1.345 0.403 0 C-N-CA 125.244 1.417 . . . . 0.0 108.814 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -127.74 -53.13 1.34 Allowed 'General case' 0 C--N 1.34 0.16 0 C-N-CA 125.4 1.48 . . . . 0.0 109.402 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -85.27 57.63 4.56 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 124.756 1.222 . . . . 0.0 108.471 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 28.9 t 179.58 -56.4 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.459 2.303 . . . . 0.0 107.547 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 16.1 t70 59.32 -88.03 0.02 OUTLIER 'General case' 0 C--N 1.344 0.333 0 C-N-CA 126.005 1.722 . . . . 0.0 109.672 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -149.03 113.87 5.4 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.066 1.346 . . . . 0.0 108.859 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 31.4 mm -97.15 94.93 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -78.19 99.75 6.34 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.0 t -82.16 110.15 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.707 0.803 . . . . 0.0 109.485 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -73.74 -63.64 1.17 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 117.494 -1.241 . . . . 0.0 109.394 179.549 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.317 0 C4'-C3'-C2' 99.245 -3.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 0 P-O3'-C3' 123.485 3.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.943 1 O4'-C1'-N19 114.897 8.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.052 0 C4'-C3'-O3' 104.184 -2.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 1 P-O3'-C3' 124.639 4.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ' DA' . . . . . 0.574 H5'' HH11 ' B' ' 64' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.187 1 O4'-C1'-N19 113.05 6.562 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ' DT' . . . . . 1.059 ' H73' HG22 ' B' ' 26' ' ' THR . . . . . . . . 0 O5'--C5' 1.393 -2.913 2 O4'-C1'-N19 111.987 5.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ' DT' . . . . . 1.013 ' H71' ' HZ ' ' B' ' 66' ' ' PHE . . . . . . . . 0 C5'--C4' 1.527 2.002 3 O4'-C1'-N19 114.959 8.949 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.352 1 P-O3'-C3' 125.958 5.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.673 0 P-O3'-C3' 123.586 3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 1 O4'-C1'-N19 111.37 4.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.807 1 O4'-C1'-N19 113.453 7.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.715 " H3'" ' OE1' ' B' ' 11' ' ' GLU . . . . . . . . 0 C5'--C4' 1.535 2.944 0 C4'-C3'-C2' 99.458 -3.742 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 1.029 ' H72' ' HA ' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.797 0 O4'-C4'-C3' 109.317 3.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . 0.981 ' C8 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C4'-C3' 110.017 4.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 1.113 ' C7 ' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.533 2.783 2 O4'-C1'-N19 116.533 10.917 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.226 1 O4'-C1'-N19 112.412 5.765 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.74 2 O3'-P-O5' 95.504 -4.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.33 1 O4'-C1'-N19 111.524 4.655 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.627 3 C5'-C4'-C3' 107.784 -4.611 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.859 1 P-O3'-C3' 124.505 4.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.577 1 O4'-C1'-N19 112.356 5.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.003 2 P-O3'-C3' 125.772 5.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.768 1 O4'-C1'-N19 116.341 10.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 110.855 -0.054 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -154.82 -37.06 0.09 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.134 0.974 . . . . 0.0 111.362 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -137.66 170.95 15.18 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 125.192 1.397 . . . . 0.0 109.851 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 pp -65.18 139.28 97.55 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 123.038 0.535 . . . . 0.0 110.085 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -77.57 147.66 25.35 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 123.513 2.808 . . . . 0.0 111.909 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.705 ' O ' H5'' ' C' ' 13' ' ' ' DA' . 44.0 mm-40 -84.28 93.89 8.32 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 178.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -80.36 142.57 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.879 1.272 . . . . 0.0 111.114 -176.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.0 t -128.0 177.03 7.15 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 127.235 2.214 . . . . 0.0 107.671 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.71 -61.08 2.85 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.84 31.59 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.682 1.193 . . . . 0.0 112.467 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.715 ' OE1' " H3'" ' C' ' 13' ' ' ' DA' . 19.6 tt0 -61.59 -52.41 64.52 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.065 0.946 . . . . 0.0 111.733 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -34.15 57.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.547 1.139 . . . . 0.0 112.187 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -49.17 -41.07 35.44 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.29 -44.95 35.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.639 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 20.5 mtp -54.48 -40.9 68.92 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.314 1.046 . . . . 0.0 110.624 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -54.91 -50.15 69.51 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.135 1.374 . . . . 0.0 107.969 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 38.2 t -67.1 -37.52 79.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.368 1.067 . . . . 0.0 111.311 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 10.0 mt -64.36 -43.59 97.1 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 CA-C-N 119.349 0.977 . . . . 0.0 109.447 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -61.47 -19.23 61.79 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.811 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -68.95 -49.49 57.56 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 175.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 1.068 ' HD2' ' O ' ' B' ' 23' ' ' SER . 7.5 t60 -69.87 159.1 34.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.391 1.476 . . . . 0.0 108.163 177.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 23.3 p -62.29 -60.06 4.11 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 1.068 ' O ' ' HD2' ' B' ' 21' ' ' HIS . 56.7 m -130.35 -154.84 0.66 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 101.798 -3.408 . . . . 0.0 101.798 160.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.275 10.8 tt -150.7 151.62 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 O-C-N 119.936 -1.728 . . . . 0.0 111.408 174.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -112.35 173.83 6.18 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 122.283 2.31 . . . . 0.0 104.883 174.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 1.059 HG22 ' H73' ' A' ' 7' ' ' ' DT' . 0.8 OUTLIER -59.42 -19.61 48.62 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -178.689 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -54.44 5.06 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 119.723 1.147 . . . . 0.0 111.107 176.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.12 -39.22 66.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.046 1.339 . . . . 0.0 112.026 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.0 -45.67 96.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 125.114 1.365 . . . . 0.0 110.866 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.45 -61.07 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.189 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -48.81 -32.96 9.55 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.126 0.97 . . . . 0.0 112.725 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -84.95 -61.82 1.69 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.778 0.831 . . . . 0.0 113.127 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.58 -57.11 5.6 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.0 p -42.76 -37.38 1.75 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -67.1 -48.54 67.85 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.091 0.556 . . . . 0.0 111.721 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 75.2 p -78.09 -47.58 17.96 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.229 1.012 . . . . 0.0 113.403 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 100.0 p -92.68 162.5 14.13 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 125.161 1.384 . . . . 0.0 113.244 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 31.7 p -58.59 -66.94 0.41 Allowed 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.618 1.167 . . . . 0.0 108.102 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -11.14 97.62 0.01 OUTLIER 'General case' 0 C--N 1.345 0.392 0 C-N-CA 129.185 2.994 . . . . 0.0 113.847 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 59.7 p -61.41 159.07 34.0 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 124.604 1.162 . . . . 0.0 110.125 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -44.24 -37.1 9.77 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 124.52 3.48 . . . . 0.0 114.666 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -66.99 -44.04 81.42 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.455 0.702 . . . . 0.0 110.139 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 1.113 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 76.9 m -67.78 -21.95 65.22 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.545 1.538 . . . . 0.0 112.536 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.6 mm -65.98 -42.05 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 118.667 0.667 . . . . 0.0 110.448 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -49.6 -48.03 49.16 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.006 1.323 . . . . 0.0 113.164 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.981 HG21 ' C8 ' ' C' ' 15' ' ' ' DG' . 3.9 t -68.25 -36.95 80.25 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.5 -1.238 . . . . 0.0 112.841 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.627 ' HG3' ' O ' ' B' ' 43' ' ' THR . 9.9 mtm -45.85 -26.58 0.7 Allowed 'General case' 0 C--N 1.344 0.343 0 C-N-CA 126.388 1.875 . . . . 0.0 114.758 -172.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 70.4 mt -85.72 -55.63 3.88 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 126.213 1.805 . . . . 0.0 108.479 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.55 HD23 ' H73' ' A' ' 8' ' ' ' DT' . 0.3 OUTLIER -62.07 -17.93 59.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.033 2.133 . . . . 0.0 112.951 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 1.029 ' HA ' ' H72' ' C' ' 14' ' ' ' DT' . 48.2 mtm180 -55.36 -60.81 2.89 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 119.462 1.028 . . . . 0.0 108.493 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -50.58 -54.34 23.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.134 1.773 . . . . 0.0 111.18 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 19.4 mt -48.39 -35.61 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.718 1.607 . . . . 0.0 113.008 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -55.43 -46.35 76.69 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.323 0.511 . . . . 0.0 111.156 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -92.73 -17.93 23.6 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.42 0.688 . . . . 0.0 110.533 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.69 20.09 12.34 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 117.514 -1.715 . . . . 0.0 114.523 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.49 -7.68 49.07 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.765 2.283 . . . . 0.0 112.994 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.1 mt -151.12 164.55 36.25 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.02 2.528 . . . . 0.0 106.93 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -142.12 124.57 15.71 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 117.425 -1.274 . . . . 0.0 110.423 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -93.85 149.24 21.4 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 120.736 1.607 . . . . 0.0 111.845 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -147.12 144.63 29.16 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 125.17 1.388 . . . . 0.0 108.56 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -83.0 97.98 9.02 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -86.97 79.14 8.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.686 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 58.78 -88.38 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 C-N-CA 125.127 1.346 . . . . 0.0 112.804 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.574 HH11 H5'' ' A' ' 6' ' ' ' DA' . 1.8 tmt_? -67.59 -61.71 1.76 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.184 0.993 . . . . 0.0 111.161 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.11 158.49 43.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 C-N-CA 123.896 0.878 . . . . 0.0 112.234 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 1.013 ' HZ ' ' H71' ' A' ' 8' ' ' ' DT' . 0.1 OUTLIER -82.29 134.07 35.26 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 125.64 1.576 . . . . 0.0 108.698 179.678 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 40.1 t -125.94 139.69 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 113.823 -1.535 . . . . 0.0 108.755 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -93.96 120.56 34.39 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 103.935 -2.617 . . . . 0.0 103.935 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 33.8 p -96.07 127.83 39.34 Favored Pre-proline 0 C--N 1.342 0.239 0 C-N-CA 125.03 1.332 . . . . 0.0 112.093 -173.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -56.56 96.7 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.768 2.979 . . . . 0.0 113.044 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -64.16 -33.89 76.81 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.03 0.932 . . . . 0.0 109.582 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 10.2 pt -112.0 156.65 13.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 126.676 1.99 . . . . 0.0 106.52 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -100.13 161.74 13.41 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.557 0.743 . . . . 0.0 112.968 -176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.37 -34.94 79.1 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.252 1.421 . . . . 0.0 110.899 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -62.14 -34.55 76.59 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 123.98 0.912 . . . . 0.0 110.937 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -63.87 -23.09 67.21 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.559 0.744 . . . . 0.0 111.294 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -132.4 -113.56 0.23 Allowed 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.844 1.258 . . . . 0.0 109.906 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 33.2 mm -90.77 104.42 15.36 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 C-N-CA 124.687 1.195 . . . . 0.0 108.883 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -77.01 99.83 5.43 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 33.7 m -74.08 148.71 8.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 123.787 0.835 . . . . 0.0 111.52 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.97 164.37 12.82 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.474 1.109 . . . . 0.0 112.283 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.251 1.152 0 CA-C-O 117.57 -1.205 . . . . 0.0 109.959 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.157 0 C4'-C3'-C2' 100.577 -2.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.733 0 P-O3'-C3' 124.158 3.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.988 2 O4'-C1'-N19 111.913 5.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.678 2 C4'-C3'-C2' 98.585 -4.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.744 0 N19-C1'-C2' 120.36 3.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ' DA' . . . . . 0.781 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.54 3.637 1 O4'-C1'-N19 111.263 4.329 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.089 1 O4'-C1'-N19 113.892 7.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ' DT' . . . . . 0.477 ' H71' HD23 ' B' ' 49' ' ' LEU . . . . . . . . 0 C5'--C4' 1.531 2.509 2 O4'-C1'-N19 114.393 8.241 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.325 1 P-O3'-C3' 124.54 4.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.718 0 O4'-C1'-N19 110.99 3.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.744 0 P-O3'-C3' 124.247 3.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.928 1 O4'-C1'-N19 112.592 5.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.701 " H3'" ' OE1' ' B' ' 11' ' ' GLU . . . . . . . . 0 C5'--C4' 1.535 2.981 0 O4'-C1'-N19 110.312 3.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.579 ' C7 ' ' CB ' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.464 4 O4'-C1'-N19 112.519 5.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . 0.737 ' C8 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.542 3.887 1 O4'-C1'-N19 117.229 11.786 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 0.999 ' H72' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.538 3.347 2 O4'-C1'-N19 115.579 9.724 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.273 1 O4'-C1'-N19 111.496 4.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.695 3 O4'-C4'-C3' 110.611 5.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.231 1 O4'-C1'-N19 113.758 7.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.547 0 O4'-C4'-C3' 109.275 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.811 2 O4'-C1'-N19 111.73 4.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.636 H5'' ' HZ3' ' B' ' 61' ' ' LYS . . . . . . . . 0 C5'--C4' 1.532 2.673 0 P-O3'-C3' 124.174 3.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 115.064 9.08 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.675 0 P-O3'-C3' 123.795 3.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 119.84 -0.124 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 64.5 tttm 79.04 -59.83 0.38 Allowed 'General case' 0 C--N 1.342 0.245 0 C-N-CA 125.662 1.585 . . . . 0.0 110.436 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -58.98 -48.22 82.35 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.386 1.074 . . . . 0.0 109.61 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 24.1 pt -70.51 148.27 95.22 Favored Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 124.236 1.015 . . . . 0.0 109.923 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -75.08 134.8 18.11 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.227 2.618 . . . . 0.0 109.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.582 ' O ' H5'' ' C' ' 13' ' ' ' DA' . 1.2 tm0? -72.24 102.46 3.09 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -80.79 117.87 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 30.7 m -100.13 179.99 4.31 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.543 1.537 . . . . 0.0 108.283 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.86 -52.91 63.44 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -22.2 66.96 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.18 0.992 . . . . 0.0 113.349 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.701 ' OE1' " H3'" ' C' ' 13' ' ' ' DA' . 14.3 tt0 -73.2 -54.82 7.48 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.794 0.725 . . . . 0.0 110.075 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -56.64 -36.75 69.87 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.287 0.635 . . . . 0.0 111.809 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.57 -47.54 79.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.669 0.788 . . . . 0.0 110.891 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 m -73.2 -51.37 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 118.47 -0.776 . . . . 0.0 110.278 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 6.4 mmt -46.72 -36.98 7.75 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.421 1.088 . . . . 0.0 112.447 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -56.1 -52.48 64.14 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.472 1.109 . . . . 0.0 110.098 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.66 -40.0 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.466 0.707 . . . . 0.0 110.397 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mt -64.47 -44.15 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 122.508 0.323 . . . . 0.0 110.145 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -72.5 -24.24 61.14 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.833 0.853 . . . . 0.0 111.319 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -64.31 -45.46 87.83 Favored 'General case' 0 C--N 1.345 0.37 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -77.68 158.7 29.57 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.961 1.304 . . . . 0.0 107.635 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.4 p -58.72 -58.89 6.6 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -129.35 -154.12 0.61 Allowed 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 101.929 -3.36 . . . . 0.0 101.929 164.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.378 9.4 tt -150.4 152.05 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 121.85 2.113 . . . . 0.0 112.922 173.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -112.42 133.36 54.54 Favored 'General case' 0 N--CA 1.441 -0.883 1 N-CA-C 98.986 -4.45 . . . . 0.0 98.986 175.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 36.4 m -42.74 -26.98 0.15 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 0.1 OUTLIER -62.33 -44.49 96.36 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 120.521 1.51 . . . . 0.0 111.841 177.145 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -67.5 -41.83 83.84 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -57.15 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 118.675 -0.679 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 32.5 mt -59.29 -46.43 92.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 118.652 0.66 . . . . 0.0 110.344 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 0.8 OUTLIER -54.41 -39.22 67.09 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.358 0.663 . . . . 0.0 111.644 177.889 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.66 -61.87 1.86 Allowed 'General case' 0 C--N 1.342 0.281 0 CA-C-N 118.871 0.76 . . . . 0.0 112.29 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 mp -52.66 -40.99 63.39 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 127.178 2.191 . . . . 0.0 112.571 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -66.82 -39.73 87.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.516 0.726 . . . . 0.0 112.056 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -73.03 -44.42 60.87 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.241 0.616 . . . . 0.0 111.215 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p -73.43 -62.21 1.56 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.641 0.776 . . . . 0.0 111.741 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 16.1 t -92.84 162.18 14.2 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.693 1.197 . . . . 0.0 111.508 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 62.1 m -55.5 -60.75 2.99 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.909 1.284 . . . . 0.0 110.12 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -15.85 118.47 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 128.988 2.915 . . . . 0.0 115.582 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 58.4 p -77.76 174.59 5.7 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.805 1.242 . . . . 0.0 109.55 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -51.48 -39.71 64.13 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 123.368 2.712 . . . . 0.0 113.065 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -67.94 -52.32 37.41 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.604 0.762 . . . . 0.0 110.035 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.999 ' HA ' ' H72' ' C' ' 16' ' ' ' DT' . 15.9 m -51.58 -30.75 22.07 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.11 1.764 . . . . 0.0 113.22 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.3 mt -77.17 -46.49 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 125.051 1.341 . . . . 0.0 112.32 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -48.8 -31.09 6.48 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.737 HG21 ' C8 ' ' C' ' 15' ' ' ' DG' . 11.4 t -64.11 -54.79 28.46 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 68.4 mtm -51.4 -52.52 45.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.573 1.149 . . . . 0.0 108.997 -176.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.2 mt -53.68 -53.22 55.13 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.363 1.465 . . . . 0.0 111.315 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.477 HD23 ' H71' ' A' ' 8' ' ' ' DT' . 2.6 tm? -65.14 -45.31 85.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.424 1.09 . . . . 0.0 112.541 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.579 ' CB ' ' C7 ' ' C' ' 14' ' ' ' DT' . 19.2 mmt180 -68.06 -44.23 76.83 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 123.438 0.695 . . . . 0.0 111.835 -176.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 5.3 mp -52.27 -45.54 65.49 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 172.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 59.5 mt -62.29 -43.12 97.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.667 0.667 . . . . 0.0 111.237 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.96 -40.14 94.57 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.607 0.763 . . . . 0.0 110.686 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -89.18 -7.1 56.28 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.817 1.247 . . . . 0.0 113.558 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.33 -9.18 45.41 Favored Glycine 0 CA--C 1.535 1.324 0 N-CA-C 117.961 1.945 . . . . 0.0 117.961 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.33 -60.78 3.02 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 121.437 2.618 . . . . 0.0 113.235 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 mp -109.27 167.3 10.21 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.365 1.866 . . . . 0.0 112.743 -175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -140.76 118.67 11.81 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.958 0.903 . . . . 0.0 111.84 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.17 135.43 35.56 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.449 1.022 . . . . 0.0 111.737 177.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -147.2 142.14 26.96 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.091 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.636 ' HZ3' H5'' ' C' ' 22' ' ' ' DT' . 82.1 tttt -83.91 115.41 22.28 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.355 1.062 . . . . 0.0 109.687 -178.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -119.21 109.18 15.55 Favored 'General case' 0 C--N 1.343 0.326 0 C-N-CA 124.768 1.227 . . . . 0.0 112.319 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 50.96 -92.4 0.01 OUTLIER Glycine 0 C--N 1.341 0.813 0 C-N-CA 125.48 1.514 . . . . 0.0 113.593 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -67.99 -84.12 0.03 OUTLIER 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.94 0.896 . . . . 0.0 110.196 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.781 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 28.1 m -123.71 173.63 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.527 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -80.79 153.88 27.49 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -173.438 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 45.3 t -118.47 135.66 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 114.286 -1.325 . . . . 0.0 111.361 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.302 10.0 m-85 -94.37 121.35 35.8 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 173.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 66.9 p -117.2 123.57 29.92 Favored Pre-proline 0 CA--C 1.532 0.254 0 C-N-CA 123.737 0.815 . . . . 0.0 111.432 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -59.83 107.22 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 124.082 3.188 . . . . 0.0 110.469 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -74.34 -7.6 53.39 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.202 0.601 . . . . 0.0 111.782 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.44 117.08 54.36 Favored 'Isoleucine or valine' 0 C--N 1.345 0.393 0 C-N-CA 125.329 1.451 . . . . 0.0 110.124 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -127.71 -53.6 1.34 Allowed 'General case' 0 C--N 1.339 0.113 0 C-N-CA 125.746 1.618 . . . . 0.0 107.524 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.24 -37.27 72.05 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.828 1.251 . . . . 0.0 110.408 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 45.9 t -119.65 61.71 0.83 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.763 1.625 . . . . 0.0 107.784 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -55.9 -62.37 1.74 Allowed 'General case' 0 C--N 1.341 0.207 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -154.5 130.88 10.48 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.967 1.307 . . . . 0.0 108.795 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 50.0 mt -122.44 95.01 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -76.27 134.66 39.73 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.052 0.941 . . . . 0.0 109.932 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.02 144.15 12.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 123.816 0.846 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -69.7 -58.96 3.27 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.483 0.713 . . . . 0.0 109.124 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 117.05 -1.452 . . . . 0.0 109.462 179.341 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 C2'-C3'-O3' 117.667 2.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 1 O4'-C4'-C3' 109.869 4.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.147 0 P-O3'-C3' 124.205 3.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 1 O4'-C1'-N19 111.614 4.768 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.336 1 O4'-C1'-N19 113.159 6.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ' DA' . . . . . 0.82 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.538 3.365 3 C4'-C3'-C2' 97.207 -5.993 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 1 O4'-C1'-N19 111.355 4.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ' DT' . . . . . 0.747 ' H72' ' HB2' ' B' ' 49' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.793 2 O4'-C1'-N19 112.669 6.086 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O3'-P-O5' 97.381 -3.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.35 1 O4'-C1'-N19 111.843 5.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.186 0 O3'-P-O5' 109.613 2.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.451 1 O4'-C1'-N19 117.93 12.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.482 H2'' ' H72' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.118 1 O4'-C1'-N19 111.968 5.21 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.602 ' C7 ' ' CB ' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.693 0 P-O3'-C3' 124.072 3.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.335 1 O4'-C1'-N19 112.921 6.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 1.008 ' C7 ' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.54 3.597 1 O4'-C1'-N19 112.402 5.752 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 113.4 7.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.124 2 O4'-C1'-N19 112.704 6.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.823 1 P-O3'-C3' 126.022 5.268 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.824 2 O4'-C1'-N19 112.851 6.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.346 1 O4'-C1'-N19 112.224 5.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.887 3 O4'-C1'-N19 113.258 6.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.666 H5'' ' HG3' ' B' ' 64' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.581 1 O4'-C1'-N19 111.691 4.863 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 111.176 4.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.8 mtt . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp 65.79 105.41 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.955 1.702 . . . . 0.0 112.915 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm 57.94 71.78 0.56 Allowed 'General case' 0 C--N 1.343 0.288 0 C-N-CA 125.223 1.409 . . . . 0.0 110.292 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.97 170.59 10.93 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 125.178 1.391 . . . . 0.0 110.039 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -55.2 145.72 64.01 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 124.442 3.428 . . . . 0.0 112.919 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.415 ' HB3' " H5'" ' C' ' 13' ' ' ' DA' . 27.7 tt0 -78.29 81.75 4.63 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 178.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 58.4 mt -80.83 143.02 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.838 0.855 . . . . 0.0 110.88 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 96.6 p -139.54 -165.46 1.87 Allowed 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 127.025 2.13 . . . . 0.0 106.898 178.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -61.13 -47.87 84.28 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.01 82.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.028 0.931 . . . . 0.0 113.101 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -69.65 -46.48 66.06 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.323 0.51 . . . . 0.0 109.671 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 tp -61.11 -31.57 71.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.97 -43.98 98.0 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.071 0.85 . . . . 0.0 109.003 176.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -67.87 -60.36 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 124.471 1.108 . . . . 0.0 110.095 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 18.1 mmm -53.2 -41.56 65.4 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 125.035 1.334 . . . . 0.0 111.392 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -55.42 -50.64 69.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.607 1.563 . . . . 0.0 110.982 177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.6 t -63.04 -48.77 86.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.339 0 C-N-CA 123.351 0.66 . . . . 0.0 110.279 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.8 mt -58.93 -41.81 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.978 0.911 . . . . 0.0 112.015 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -64.77 -17.64 64.36 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -71.0 -50.15 37.35 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.212 0.915 . . . . 0.0 108.746 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.433 ' HD2' ' H ' ' B' ' 22' ' ' SER . 6.3 t-160 -72.39 153.26 41.54 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.904 1.682 . . . . 0.0 109.679 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.433 ' H ' ' HD2' ' B' ' 21' ' ' HIS . 36.0 p -57.34 -58.42 8.34 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' B' ' 21' ' ' HIS . 37.1 m -128.42 -155.31 0.69 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 101.884 -3.376 . . . . 0.0 101.884 165.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.315 6.8 tt -151.54 139.38 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 122.608 2.458 . . . . 0.0 112.111 172.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -95.79 134.16 39.07 Favored 'General case' 0 N--CA 1.432 -1.356 0 N-CA-C 100.338 -3.949 . . . . 0.0 100.338 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.402 ' N ' ' OP2' ' A' ' 6' ' ' ' DA' . 0.2 OUTLIER -42.77 -34.61 0.95 Allowed 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 127.349 2.26 . . . . 0.0 112.876 -176.022 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 0.1 OUTLIER -56.48 -43.43 79.62 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.428 1.013 . . . . 0.0 111.847 178.752 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -67.96 -36.48 80.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 118.187 0.449 . . . . 0.0 110.802 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.87 -56.97 14.2 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 C-N-CA 123.612 0.765 . . . . 0.0 108.97 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 15.5 mt -61.53 -51.46 72.55 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 26.1 tptp -46.5 -40.73 13.01 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.29 0.636 . . . . 0.0 112.237 177.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -84.83 -61.73 1.71 Allowed 'General case' 0 C--N 1.344 0.339 0 C-N-CA 123.718 0.807 . . . . 0.0 112.671 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.29 -46.78 79.6 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.769 0.828 . . . . 0.0 113.201 -177.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 16.8 t -55.28 -34.11 63.81 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -72.73 -46.82 51.55 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.896 0.478 . . . . 0.0 110.99 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 65.0 p -71.4 -57.59 4.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.956 0.903 . . . . 0.0 112.289 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 88.7 p -92.83 162.13 14.23 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.886 1.274 . . . . 0.0 112.064 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 63.3 p -66.12 -48.38 71.05 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.479 1.111 . . . . 0.0 110.419 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -22.54 123.14 0.03 OUTLIER 'General case' 0 C--N 1.343 0.302 0 C-N-CA 129.293 3.037 . . . . 0.0 114.268 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 96.0 p -72.05 166.11 43.96 Favored Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 124.165 0.986 . . . . 0.0 109.962 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.16 -42.66 58.22 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.134 2.556 . . . . 0.0 110.807 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -58.65 -49.26 78.17 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.886 1.275 . . . . 0.0 110.567 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 1.008 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 82.1 m -60.17 -44.49 94.99 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 123.527 0.731 . . . . 0.0 110.784 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.91 -64.59 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-O 119.069 -0.491 . . . . 0.0 109.901 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -45.03 -34.9 2.7 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.482 1.513 . . . . 0.0 114.733 -178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 92.1 m -77.51 -31.52 53.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.543 ' HG3' ' O ' ' B' ' 43' ' ' THR . 89.9 mtp -54.5 -51.35 65.39 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.426 ' H ' ' CD2' ' B' ' 48' ' ' LEU . 1.0 OUTLIER -57.11 -50.92 71.29 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 124.951 1.301 . . . . 0.0 111.385 177.446 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.747 ' HB2' ' H72' ' A' ' 8' ' ' ' DT' . 3.2 tm? -53.95 -45.38 71.28 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.987 0.915 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.602 ' CB ' ' C7 ' ' C' ' 14' ' ' ' DT' . 19.3 mmt180 -68.59 -49.16 61.45 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.779 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.27 -49.68 17.07 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.139 0.976 . . . . 0.0 109.483 172.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.95 -44.27 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.758 0.823 . . . . 0.0 111.572 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -60.95 -38.39 85.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.598 0.759 . . . . 0.0 110.528 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -83.76 -17.39 41.31 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.768 1.227 . . . . 0.0 111.765 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.19 0.23 41.08 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 117.273 -1.848 . . . . 0.0 116.928 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.92 -51.56 68.74 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 121.198 2.499 . . . . 0.0 112.208 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mp -116.72 167.35 11.16 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.614 1.966 . . . . 0.0 112.211 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -140.53 128.03 21.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.378 1.071 . . . . 0.0 109.554 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.25 148.65 22.0 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 119.016 0.825 . . . . 0.0 112.743 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -146.19 119.11 8.72 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.466 1.106 . . . . 0.0 110.029 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -83.12 96.83 8.52 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.46 94.89 9.33 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.456 1.902 . . . . 0.0 112.914 -175.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.46 -89.45 0.01 OUTLIER Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.853 1.216 . . . . 0.0 112.839 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.666 ' HG3' H5'' ' C' ' 23' ' ' ' DT' . 9.6 ttm180 -64.28 -79.79 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.024 0.93 . . . . 0.0 109.905 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.82 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 32.8 m -133.93 173.6 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.949 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.597 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -81.31 154.09 26.72 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 118.617 2.821 . . . . 0.0 118.617 -172.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 1.7 m -125.58 139.32 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.757 0 C-N-CA 126.167 1.787 . . . . 0.0 110.147 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.264 4.9 m-85 -94.36 121.22 35.67 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 105.811 -1.922 . . . . 0.0 105.811 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 74.9 p -101.16 110.16 60.52 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 126.409 1.884 . . . . 0.0 108.904 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -58.04 109.66 0.52 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.538 2.825 . . . . 0.0 111.589 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -72.62 -12.83 61.2 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.553 0.741 . . . . 0.0 111.769 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.41 161.81 10.9 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 C-N-CA 126.2 1.8 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -58.36 156.99 9.24 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.829 1.252 . . . . 0.0 112.553 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.43 -41.5 94.13 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.111 0.964 . . . . 0.0 110.851 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 80.7 p -112.21 59.92 0.63 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.238 1.415 . . . . 0.0 107.973 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.0 -42.69 72.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.744 0.818 . . . . 0.0 110.426 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -76.42 -48.05 21.06 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.042 0.937 . . . . 0.0 111.171 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 58.3 mt -82.13 108.96 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -74.73 99.46 3.72 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.907 0.883 . . . . 0.0 109.555 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 28.8 m -86.76 148.76 4.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 124.767 1.227 . . . . 0.0 110.326 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 166.96 10.49 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.288 1.035 . . . . 0.0 112.209 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 116.806 -1.569 . . . . 0.0 110.786 179.544 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 0 C2'-C3'-O3' 117.594 2.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.184 0 C4'-C3'-C2' 99.422 -3.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.564 1 O4'-C1'-N19 111.796 4.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 0 P-O3'-C3' 123.838 3.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.491 1 O4'-C1'-N19 114.097 7.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ' DA' . . . . . 0.579 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.532 2.685 3 O4'-C1'-N19 112.066 5.332 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.642 1 P-O3'-C3' 124.965 4.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ' DT' . . . . . 0.52 ' H73' HD12 ' B' ' 49' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.899 2 P-O3'-C3' 125.792 5.076 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.395 3 O4'-C4'-C3' 111.091 5.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 1 O4'-C1'-N19 112.391 5.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O3'-P-O5' 97.734 -3.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.632 1 O4'-C1'-N19 118.037 12.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.529 H5'' ' OE1' ' B' ' 11' ' ' GLU . . . . . . . . 0 C5'--C4' 1.533 2.798 0 C4'-C3'-C2' 100.618 -2.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.693 ' H71' ' HA ' ' B' ' 47' ' ' MET . . . . . . . . 0 C5'--C4' 1.535 3.044 1 P-O3'-C3' 125.183 4.569 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.71 2 C4'-C3'-C2' 98.035 -5.165 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 1.046 ' C7 ' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.543 3.966 1 O4'-C1'-N19 114.805 8.757 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 1 O4'-C1'-N19 111.687 4.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.529 2 O4'-C1'-N19 113.652 7.315 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.204 1 O4'-C1'-N19 112.461 5.826 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.129 0 P-O3'-C3' 123.609 3.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.022 1 O4'-C1'-N19 111.626 4.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 2 O4'-C1'-N19 111.734 4.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.012 1 O4'-C4'-C3' 110.352 4.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.609 4.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.0 mtm . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 111.277 0.103 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.94 98.75 3.65 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -80.27 -94.58 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 15.2 tt -167.25 87.7 0.77 Allowed Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.17 124.08 15.4 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.376 2.718 . . . . 0.0 113.146 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.486 ' HB2' " H5'" ' C' ' 13' ' ' ' DA' . 23.3 mp0 -78.52 81.19 4.87 Favored 'General case' 0 C--N 1.341 0.198 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 61.7 mt -80.65 144.28 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 124.08 0.952 . . . . 0.0 111.349 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 83.3 p -137.02 -166.6 1.94 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.595 2.358 . . . . 0.0 106.421 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.28 -47.06 86.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -45.22 88.65 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.502 1.121 . . . . 0.0 113.71 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.529 ' OE1' H5'' ' C' ' 13' ' ' ' DA' . 15.3 tt0 -65.31 -51.88 57.7 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.479 0.581 . . . . 0.0 110.548 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -62.9 -38.49 91.14 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.06 0.944 . . . . 0.0 111.406 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -54.05 -35.94 62.53 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 118.976 0.807 . . . . 0.0 111.311 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.84 -58.75 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.529 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 4.7 mtt -46.1 -43.57 14.86 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.297 1.439 . . . . 0.0 111.52 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -48.7 -48.12 40.48 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.316 1.846 . . . . 0.0 110.857 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.0 t -69.93 -47.18 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 118.755 0.707 . . . . 0.0 110.285 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.6 mt -57.37 -43.02 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.834 1.254 . . . . 0.0 112.775 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -62.44 -25.17 67.82 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -68.91 -45.16 71.6 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -73.27 154.63 40.1 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.612 1.565 . . . . 0.0 109.279 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 45.7 t -60.45 -58.84 6.76 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 54.6 m -128.81 -154.8 0.66 Allowed 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 101.618 -3.475 . . . . 0.0 101.618 165.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.343 14.5 tt -150.87 134.23 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 122.73 2.514 . . . . 0.0 112.439 172.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -93.0 134.29 35.28 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 101.652 -3.462 . . . . 0.0 101.652 175.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.98 -31.03 0.46 Allowed 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -176.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -41.73 80.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 121.374 1.897 . . . . 0.0 111.728 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -71.48 -38.92 71.18 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 123.32 0.648 . . . . 0.0 111.293 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -55.11 20.29 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 25.3 mt -57.78 -58.38 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 124.027 0.931 . . . . 0.0 108.703 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -43.4 -48.92 7.16 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.9 0.75 . . . . 0.0 112.957 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -74.8 -60.04 2.46 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.5 -27.7 67.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 92.3 p -69.86 -31.78 69.8 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.179 0.899 . . . . 0.0 110.806 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -67.74 -47.17 70.02 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.302 1.041 . . . . 0.0 110.495 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -81.07 -61.17 2.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.181 1.393 . . . . 0.0 112.092 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 38.2 m -92.79 162.15 14.24 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 124.837 1.255 . . . . 0.0 111.182 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 41.8 p -62.05 -63.89 1.11 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.207 1.003 . . . . 0.0 110.165 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -2.49 111.45 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 130.213 3.405 . . . . 0.0 115.184 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 89.4 p -69.66 170.35 9.83 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 124.437 1.095 . . . . 0.0 110.241 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -52.48 -47.81 25.12 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.996 2.464 . . . . 0.0 111.031 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.703 ' C ' ' H72' ' C' ' 16' ' ' ' DT' . 43.2 mttp -53.17 -50.78 63.91 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.919 1.288 . . . . 0.0 110.129 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 1.046 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 93.1 m -59.88 -53.92 52.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.668 0.787 . . . . 0.0 111.001 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -54.42 -64.79 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.42 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -46.64 -30.78 2.48 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.458 1.103 . . . . 0.0 113.875 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.631 ' O ' ' C7 ' ' C' ' 14' ' ' ' DT' . 59.6 m -86.85 -25.49 24.49 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.651 1.18 . . . . 0.0 113.686 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.693 ' HA ' ' H71' ' C' ' 14' ' ' ' DT' . 95.1 mtp -54.52 -48.2 72.22 Favored 'General case' 0 C--N 1.341 0.227 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 176.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -40.64 75.85 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 127.147 2.179 . . . . 0.0 112.995 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.52 HD12 ' H73' ' A' ' 8' ' ' ' DT' . 29.8 tp -44.99 -46.26 11.05 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.969 1.307 . . . . 0.0 114.486 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.494 ' HB2' ' H73' ' C' ' 14' ' ' ' DT' . 9.6 mmp_? -71.28 -39.81 71.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.603 0.638 . . . . 0.0 110.342 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 9.5 mp -56.24 -33.24 65.22 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.51 0.724 . . . . 0.0 109.212 174.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 68.3 mt -69.31 -46.98 75.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 121.315 -0.865 . . . . 0.0 110.343 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.79 -46.81 80.48 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -91.13 -17.61 25.85 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.825 0.85 . . . . 0.0 112.193 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.51 23.04 9.77 Favored Glycine 0 CA--C 1.531 1.089 0 N-CA-C 120.641 3.017 . . . . 0.0 120.641 172.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.54 -47.01 57.91 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 123.562 3.681 . . . . 0.0 109.553 175.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 mp -127.27 162.0 27.25 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.152 2.181 . . . . 0.0 108.926 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -141.29 149.67 41.55 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 124.148 0.979 . . . . 0.0 110.882 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.7 148.42 22.13 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 119.011 0.823 . . . . 0.0 112.095 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -142.57 115.06 8.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.992 1.317 . . . . 0.0 110.173 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -83.42 98.18 9.36 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.398 1.079 . . . . 0.0 110.694 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -86.75 138.3 31.73 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.958 2.103 . . . . 0.0 108.14 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -23.5 -48.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 C-N-CA 127.733 2.587 . . . . 0.0 114.883 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -66.36 -85.83 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.579 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 30.7 m -143.11 173.26 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.373 0 N-CA-C 102.712 -3.069 . . . . 0.0 102.712 177.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.567 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -80.94 153.71 27.38 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -174.849 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 m -123.11 139.5 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.157 0 C-N-CA 125.462 1.505 . . . . 0.0 109.475 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.25 18.8 m-85 -94.7 121.35 36.19 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 61.1 p -103.28 120.61 51.46 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 125.921 1.688 . . . . 0.0 112.198 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -62.98 113.41 2.0 Allowed 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 123.112 2.541 . . . . 0.0 110.724 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -77.97 -14.17 59.62 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.391 0.677 . . . . 0.0 111.348 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.15 137.06 46.36 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 C-N-CA 124.71 1.204 . . . . 0.0 109.671 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -140.73 -61.55 0.5 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.262 1.425 . . . . 0.0 108.19 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -40.98 99.34 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.287 1.035 . . . . 0.0 109.965 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 79.5 p -101.45 57.98 0.85 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.135 1.374 . . . . 0.0 107.989 177.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -52.36 -64.58 0.77 Allowed 'General case' 0 C--N 1.342 0.24 0 C-N-CA 125.073 1.349 . . . . 0.0 109.734 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -161.31 129.17 4.24 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.767 1.227 . . . . 0.0 109.856 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 11.5 mt -112.76 95.08 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.3 1.44 . . . . 0.0 107.378 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -79.44 99.7 7.33 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.5 t -74.54 113.1 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt 69.76 79.69 0.19 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.593 1.157 . . . . 0.0 109.684 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.346 -1.311 . . . . 0.0 109.974 179.807 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 O4'-C1'-N19 110.697 3.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.483 2 C4'-C3'-C2' 98.159 -5.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.153 0 O4'-C1'-N19 110.452 3.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.938 1 O4'-C1'-N19 111.427 4.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 1 O4'-C1'-N19 113.291 6.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ' DA' . . . . . 0.786 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.535 3.026 1 O5'-C5'-C4' 117.517 5.226 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.312 2 O4'-C1'-N19 112.739 6.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ' DT' . . . . . 0.589 ' H71' HD21 ' B' ' 49' ' ' LEU . . . . . . . . 0 C5'--C4' 1.531 2.487 2 O4'-C1'-N19 112.363 5.703 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 3 P-O3'-C3' 125.131 4.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.449 0 P-O3'-C3' 122.947 2.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.041 1 O4'-C1'-N19 111.704 4.88 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 1 O4'-C1'-N19 113.406 7.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.616 " H5'" ' HB2' ' B' ' 6' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -2.86 1 C5'-C4'-C3' 108.586 -4.076 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.736 " H3'" ' HE3' ' B' ' 47' ' ' MET . . . . . . . . 1 C5'--C4' 1.544 4.102 1 P-O3'-C3' 125.602 4.918 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . 0.923 ' N7 ' HG22 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.542 3.902 1 O4'-C1'-N19 112.133 5.416 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 0.948 ' C7 ' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.54 3.602 1 O4'-C1'-N19 115.257 9.322 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.74 1 O4'-C1'-N19 111.708 4.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.239 2 O4'-C1'-N19 113.032 6.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.109 2 O4'-C1'-N19 114.745 8.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.733 0 P-O3'-C3' 123.879 3.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 1 P-O3'-C3' 124.857 4.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.537 " H5'" ' HZ1' ' B' ' 61' ' ' LYS . . . . . . . . 0 C5'--C4' 1.533 2.726 2 O4'-C1'-N19 112.977 6.471 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.404 " C2'" ' H71' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 112.372 5.715 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.404 ' H71' " C2'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 112.872 6.34 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 91.2 mtp . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.2 tttp 72.9 79.0 0.14 Allowed 'General case' 0 C--N 1.342 0.26 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -82.43 -128.47 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.508 1.123 . . . . 0.0 111.188 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.61 -61.29 8.17 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.5 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.07 142.16 37.74 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 121.964 1.776 . . . . 0.0 110.191 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.616 ' HB2' " H5'" ' C' ' 13' ' ' ' DA' . 37.8 mt-30 -77.92 84.58 4.2 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.556 0.742 . . . . 0.0 109.28 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.7 mt -80.37 139.59 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.57 1.148 . . . . 0.0 111.214 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.7 p -129.55 -167.75 1.84 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 127.564 2.346 . . . . 0.0 106.699 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -62.46 -51.52 67.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.69 -39.43 68.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.511 1.124 . . . . 0.0 113.468 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.72 -45.88 64.11 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 118.299 0.5 . . . . 0.0 110.516 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.65 -41.96 99.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.963 0.505 . . . . 0.0 110.215 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.01 -47.07 68.59 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 123.608 0.763 . . . . 0.0 112.923 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -71.46 -47.09 60.65 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 118.614 0.643 . . . . 0.0 111.959 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mmt -46.78 -38.64 10.43 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.954 1.302 . . . . 0.0 112.743 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -59.95 -42.83 94.92 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.766 0.826 . . . . 0.0 111.85 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.41 -37.11 79.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.332 0 CA-C-N 118.853 0.752 . . . . 0.0 109.771 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mt -67.54 -44.85 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.199 0.599 . . . . 0.0 109.451 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -70.92 -23.89 62.35 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.015 0.926 . . . . 0.0 111.76 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -65.7 -47.81 74.12 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -76.22 163.66 26.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.055 1.342 . . . . 0.0 107.988 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -61.5 -59.27 5.49 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -129.74 -154.74 0.65 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 102.449 -3.167 . . . . 0.0 102.449 164.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.374 8.0 tt -150.99 152.07 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 122.207 2.276 . . . . 0.0 113.187 173.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -111.26 145.01 39.52 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 101.968 -3.345 . . . . 0.0 101.968 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.418 ' HG1' ' H8 ' ' A' ' 6' ' ' ' DA' . 0.9 OUTLIER -43.14 -32.98 0.8 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -178.621 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -45.32 89.82 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 121.166 1.803 . . . . 0.0 111.141 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -68.05 -39.04 83.12 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 119.278 -0.391 . . . . 0.0 110.06 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -58.05 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.1 mt -59.19 -52.56 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.705 0.802 . . . . 0.0 109.67 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -45.55 -41.94 10.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.563 0.745 . . . . 0.0 112.533 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.89 -57.64 3.55 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.093 0.957 . . . . 0.0 112.669 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.86 -54.68 41.58 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 126.319 1.848 . . . . 0.0 111.634 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.1 p -57.98 -31.05 66.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.387 0.675 . . . . 0.0 112.663 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -66.12 -49.28 68.04 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.951 0.9 . . . . 0.0 109.785 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -77.7 -61.6 1.94 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.274 1.43 . . . . 0.0 112.729 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 93.9 p -92.7 162.28 14.21 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.208 1.403 . . . . 0.0 112.113 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 87.4 m -59.26 -63.68 1.22 Allowed 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.423 1.089 . . . . 0.0 109.211 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -4.16 111.93 0.01 OUTLIER 'General case' 0 C--N 1.345 0.397 0 C-N-CA 129.564 3.146 . . . . 0.0 115.141 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 95.6 p -65.99 167.33 12.12 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 124.561 1.144 . . . . 0.0 110.312 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -50.14 -37.56 48.71 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 123.42 2.747 . . . . 0.0 112.038 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.534 ' C ' ' H72' ' C' ' 16' ' ' ' DT' . 72.8 mmtt -66.63 -51.57 54.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.176 0.99 . . . . 0.0 110.54 178.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.948 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 62.0 m -56.6 -22.39 33.46 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.437 1.495 . . . . 0.0 112.196 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 71.1 mt -83.56 -49.92 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 123.995 0.918 . . . . 0.0 109.105 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -60.77 -33.48 73.03 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.116 1.366 . . . . 0.0 113.386 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.923 HG22 ' N7 ' ' C' ' 15' ' ' ' DG' . 13.5 t -68.26 -41.25 81.35 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.736 ' HE3' " H3'" ' C' ' 14' ' ' ' DT' . 53.2 mtt -53.65 -59.46 4.58 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 18.5 mt -52.41 -40.51 62.22 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 127.859 2.464 . . . . 0.0 111.084 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.589 HD21 ' H71' ' A' ' 8' ' ' ' DT' . 2.9 tm? -62.41 -49.79 74.11 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.396 0.678 . . . . 0.0 110.578 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.688 ' HB2' ' H73' ' C' ' 14' ' ' ' DT' . 3.8 mmt85 -70.93 -38.47 72.9 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.498 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 mp -52.74 -49.3 65.73 Favored 'General case' 0 N--CA 1.423 -1.786 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.93 -38.7 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 118.546 0.612 . . . . 0.0 112.525 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -64.58 -46.47 82.58 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.501 0.591 . . . . 0.0 111.347 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -84.87 -12.77 52.78 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.403 1.081 . . . . 0.0 113.163 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.51 7.36 37.15 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 116.349 -2.362 . . . . 0.0 118.675 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.3 -55.09 39.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 122.445 3.123 . . . . 0.0 111.346 175.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.1 167.28 12.37 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.526 2.331 . . . . 0.0 112.163 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -140.89 127.33 19.95 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.541 1.136 . . . . 0.0 109.961 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -94.41 145.37 24.82 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.448 1.022 . . . . 0.0 113.377 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -146.64 133.29 19.89 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.865 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.537 ' HZ1' " H5'" ' C' ' 22' ' ' ' DT' . 24.5 ttmt -82.94 98.92 9.47 Favored 'General case' 0 C--N 1.344 0.335 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -178.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -86.81 80.93 8.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.778 1.631 . . . . 0.0 111.997 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.16 -84.67 0.05 OUTLIER Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.447 1.022 . . . . 0.0 112.716 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -65.42 -78.39 0.05 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.779 0.832 . . . . 0.0 109.788 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.786 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 29.9 m -134.89 174.18 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 N-CA-C 104.112 -2.551 . . . . 0.0 104.112 178.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.592 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -80.66 154.13 27.52 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 118.605 2.817 . . . . 0.0 118.605 -172.416 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -119.81 134.88 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 CA-C-N 111.77 -2.468 . . . . 0.0 109.733 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.314 33.2 m-85 -94.28 127.17 39.99 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 71.4 p -114.34 117.09 43.59 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 123.608 0.763 . . . . 0.0 112.089 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -62.21 105.43 0.4 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 124.28 3.32 . . . . 0.0 111.182 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -75.68 -10.39 59.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.534 0.734 . . . . 0.0 112.168 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.4 161.21 11.39 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 C-N-CA 125.564 1.546 . . . . 0.0 110.971 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -85.73 161.74 19.04 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.576 1.151 . . . . 0.0 110.604 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.76 -33.68 5.41 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.808 1.643 . . . . 0.0 111.617 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.9 m -58.21 -38.82 77.54 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.873 0.869 . . . . 0.0 111.579 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -65.27 -49.03 71.15 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.59 0.756 . . . . 0.0 111.34 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -71.24 -65.24 0.77 Allowed 'General case' 0 C--N 1.342 0.263 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 45.8 mt -86.79 94.69 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -78.92 99.6 6.87 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.805 0.842 . . . . 0.0 109.284 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 12.8 p -74.3 148.4 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.33 1.052 . . . . 0.0 110.295 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.47 -35.31 0.09 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.387 1.075 . . . . 0.0 111.726 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 C--O 1.251 1.134 0 C-N-CA 125.159 1.384 . . . . 0.0 110.147 -179.408 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 C2'-C3'-O3' 117.224 2.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.047 1 O4'-C4'-C3' 110.048 4.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.242 0 P-O3'-C3' 124.034 3.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.753 0 P-O3'-C3' 123.528 3.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.041 0 P-O3'-C3' 124.35 3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ' DA' . . . . . 0.622 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.533 2.788 3 O4'-C1'-N19 116.995 11.494 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ' DT' . . . . . 0.909 H5'' ' CE2' ' B' ' 66' ' ' PHE . . . . . . . . 0 O4'--C4' 1.41 -3.25 3 O4'-C1'-N19 114.91 8.888 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.228 3 O4'-C1'-N19 112.101 5.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 1 P-O3'-C3' 126.183 5.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.082 0 P-O3'-C3' 124.226 3.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.01 0 P-O3'-C3' 124.339 3.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.569 1 O4'-C1'-N19 111.571 4.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 0 O4'-C1'-N19 110.641 3.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 1.083 ' H72' ' HD2' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 3.056 2 P-O3'-C3' 125.582 4.901 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . 1.008 ' N7 ' HG22 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.532 2.678 0 C5'-C4'-O4' 103.49 -3.694 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 1.085 ' H72' ' CA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.535 2.955 2 O4'-C1'-N19 114.832 8.79 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 3 O4'-C1'-N19 111.888 5.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.557 2 P-O3'-C3' 125.126 4.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 2 O4'-C1'-N19 113.166 6.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.435 1 O4'-C1'-N19 111.203 4.254 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.349 1 O4'-C1'-N19 112.157 5.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.766 1 P-O3'-C3' 124.828 4.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 3 O4'-C1'-N19 111.622 4.778 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 1 O4'-C1'-N19 111.38 4.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.8 ttm . . . . . 0 N--CA 1.472 0.648 0 CA-C-O 120.378 0.132 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -82.24 -73.31 0.4 Allowed 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.734 0.814 . . . . 0.0 108.932 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt 54.42 41.85 31.73 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.398 1.479 . . . . 0.0 111.275 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -151.63 58.85 2.9 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 124.477 1.111 . . . . 0.0 109.803 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -67.56 157.16 63.04 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 123.442 2.762 . . . . 0.0 111.516 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.89 104.15 2.85 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.176 0.99 . . . . 0.0 108.65 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 mm -121.4 151.69 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 125.248 1.419 . . . . 0.0 108.896 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -144.27 -178.06 5.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 126.907 2.083 . . . . 0.0 107.555 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.05 -45.13 93.65 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.2 96.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.375 1.07 . . . . 0.0 111.847 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -75.07 -26.75 59.58 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.053 0.541 . . . . 0.0 110.594 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.95 -36.9 84.62 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -56.72 -40.03 74.97 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.193 0.597 . . . . 0.0 111.225 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.5 m -76.71 -41.17 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 122.62 0.368 . . . . 0.0 110.665 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.402 ' HB3' ' CZ3' ' B' ' 19' ' ' TRP . 0.3 OUTLIER -58.02 -37.17 73.82 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.737 0.815 . . . . 0.0 110.368 177.426 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.6 -45.47 85.25 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.459 1.104 . . . . 0.0 110.001 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.62 ' O ' ' HD2' ' B' ' 21' ' ' HIS . 1.5 t -62.32 -39.01 82.61 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 C-N-CA 123.755 0.822 . . . . 0.0 110.161 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.31 -49.63 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . 0.402 ' CZ3' ' HB3' ' B' ' 15' ' ' MET . 7.7 m0 -68.23 -24.32 64.9 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.837 -0.601 . . . . 0.0 112.445 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -65.3 -46.02 82.06 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.62 ' HD2' ' O ' ' B' ' 17' ' ' VAL . 62.6 m-70 -76.54 158.41 31.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.991 1.316 . . . . 0.0 109.052 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -59.34 -58.97 6.28 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 65.9 p -129.23 -154.77 0.66 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 164.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.341 8.9 tt -151.0 152.35 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 120.803 1.638 . . . . 0.0 110.555 172.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -107.24 143.78 34.98 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 101.374 -3.565 . . . . 0.0 101.374 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.81 HG22 ' H72' ' A' ' 7' ' ' ' DT' . 0.2 OUTLIER -42.63 -34.24 0.85 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.764 2.826 . . . . 0.0 112.31 -178.223 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -56.48 6.77 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.763 1.62 . . . . 0.0 109.291 174.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -51.61 -33.52 33.31 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.482 0.713 . . . . 0.0 111.05 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -59.73 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.6 mt -59.02 -52.17 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 118.814 0.734 . . . . 0.0 110.829 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -46.29 -53.4 10.82 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.155 0.982 . . . . 0.0 113.183 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.43 -56.31 13.17 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.461 0.573 . . . . 0.0 112.28 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.3 mp -53.82 -40.99 66.86 Favored 'General case' 0 N--CA 1.432 -1.36 0 C-N-CA 126.948 2.099 . . . . 0.0 111.951 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 96.9 p -69.28 -35.26 75.85 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.019 0.928 . . . . 0.0 112.522 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -72.42 -46.57 54.55 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.193 0.597 . . . . 0.0 110.624 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 51.4 p -70.83 -63.48 1.09 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.253 1.021 . . . . 0.0 111.864 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -92.9 162.73 13.96 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.222 1.409 . . . . 0.0 111.698 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 44.2 p -66.83 -106.66 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.992 1.317 . . . . 0.0 109.428 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 15.3 m0 56.45 -131.05 1.71 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.399 1.0 . . . . 0.0 111.181 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 27.8 t 177.02 156.01 0.44 Allowed Pre-proline 0 CA--C 1.534 0.364 0 C-N-CA 126.739 2.016 . . . . 0.0 106.9 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -49.08 -36.49 35.82 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.08 2.52 . . . . 0.0 112.491 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.843 ' O ' ' C7 ' ' C' ' 16' ' ' ' DT' . 65.2 mttp -77.29 -36.47 54.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.409 1.083 . . . . 0.0 111.396 178.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 1.085 ' CA ' ' H72' ' C' ' 16' ' ' ' DT' . 42.3 m -64.32 -49.31 72.24 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 123.145 0.578 . . . . 0.0 110.645 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.6 mt -45.94 -38.86 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 125.337 1.455 . . . . 0.0 112.308 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -52.79 -37.41 59.68 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.253 1.021 . . . . 0.0 113.511 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 1.008 HG22 ' N7 ' ' C' ' 15' ' ' ' DG' . 3.9 t -68.69 -42.63 77.52 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.612 1.096 . . . . 0.0 112.066 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 56.7 mtt -57.73 -46.5 84.35 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.96 -36.92 80.67 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.428 0.691 . . . . 0.0 109.346 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' B' ' 53' ' ' LYS . 0.9 OUTLIER -73.91 -29.5 62.08 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.911 0.778 . . . . 0.0 112.942 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 1.083 ' HD2' ' H72' ' C' ' 14' ' ' ' DT' . 3.7 mmp_? -59.8 -43.75 94.31 Favored 'General case' 0 C--N 1.342 0.281 0 CA-C-N 120.372 1.442 . . . . 0.0 107.991 176.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 mp -66.03 -65.51 0.67 Allowed 'General case' 0 N--CA 1.427 -1.587 0 C-N-CA 128.952 2.901 . . . . 0.0 110.614 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.78 -19.96 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 126.796 2.038 . . . . 0.0 112.912 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' B' ' 49' ' ' LEU . 26.9 ttpp -55.0 -39.3 68.91 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -105.4 -2.81 23.37 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.083 1.353 . . . . 0.0 111.25 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.54 32.06 8.42 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-O 117.484 -1.731 . . . . 0.0 113.245 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.36 -43.4 33.52 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.326 1.563 . . . . 0.0 114.374 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.75 153.02 24.06 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -90.01 129.46 36.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -94.19 129.17 40.9 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.434 1.494 . . . . 0.0 109.123 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -146.2 110.97 5.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 123.449 0.468 . . . . 0.0 110.191 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -80.04 93.03 5.68 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 124.124 1.916 . . . . 0.0 106.955 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -99.24 137.38 37.83 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 110.942 -2.845 . . . . 0.0 110.855 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 15.21 -77.22 0.0 OUTLIER Glycine 0 C--N 1.344 1.011 0 C-N-CA 129.18 3.276 . . . . 0.0 115.396 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -69.78 -82.19 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.478 0.711 . . . . 0.0 111.262 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.622 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 1.3 m -135.38 168.59 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.909 ' CE2' H5'' ' A' ' 7' ' ' ' DT' . 0.0 OUTLIER -81.6 145.1 30.8 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 120.494 1.497 . . . . 0.0 113.889 -172.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.49 139.46 24.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 127.693 2.397 . . . . 0.0 111.982 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -97.11 131.09 44.22 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 72.7 p -131.56 125.19 20.48 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 123.526 0.73 . . . . 0.0 109.625 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -48.63 96.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 124.734 3.622 . . . . 0.0 114.382 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -73.96 -17.83 60.96 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.67 0.788 . . . . 0.0 110.171 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.19 159.95 11.88 Favored 'Isoleucine or valine' 0 C--N 1.344 0.346 0 C-N-CA 126.43 1.892 . . . . 0.0 110.127 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.96 162.25 28.24 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.385 1.074 . . . . 0.0 111.795 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.84 -48.92 74.85 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.995 0.918 . . . . 0.0 109.355 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 50.7 m -87.2 22.27 2.15 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.399 1.08 . . . . 0.0 111.867 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -66.94 -37.08 83.63 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.264 0.626 . . . . 0.0 109.602 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -89.17 -61.58 1.67 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.801 1.241 . . . . 0.0 109.62 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 38.6 mt -84.35 107.24 15.35 Favored 'Isoleucine or valine' 0 C--N 1.34 0.184 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -74.81 99.73 3.84 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.289 0.636 . . . . 0.0 109.725 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.59 139.18 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.771 0.828 . . . . 0.0 110.185 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -89.82 -52.2 5.1 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 124.385 1.074 . . . . 0.0 108.319 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.259 -1.353 . . . . 0.0 109.215 179.434 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 C2'-C3'-O3' 117.701 2.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.821 0 P-O3'-C3' 123.85 3.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.984 0 P-O3'-C3' 124.365 3.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.932 0 O4'-C4'-C3' 109.031 3.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.055 2 O4'-C1'-N19 112.692 6.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ' DA' . . . . . 0.471 " H3'" ' HB3' ' B' ' 66' ' ' PHE . . . . . . . . 0 C5'--C4' 1.532 2.601 2 P-O3'-C3' 125.16 4.55 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ' DT' . . . . . 0.467 ' OP2' ' CG ' ' B' ' 66' ' ' PHE . . . . . . . . 0 C5'--C4' 1.535 3.037 2 O4'-C1'-N19 115.149 9.186 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.492 1 P-O3'-C3' 126.546 5.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.915 3 P-O3'-C3' 126.476 5.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.201 3 O4'-C1'-N19 113.645 7.306 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.077 0 P-O3'-C3' 124.392 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.972 1 O4'-C1'-N19 112.653 6.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 1.076 H5'' ' O ' ' B' ' 6' ' ' GLN . . . . . . . . 0 C5'--C4' 1.538 3.395 2 O4'-C1'-N19 111.906 5.133 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 1.0 ' H71' ' HG2' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.658 0 O4'-C1'-N19 110.73 3.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . 0.806 ' C8 ' HG23 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.539 3.553 2 O4'-C1'-N19 111.368 4.46 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 1.068 ' H72' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 113.341 6.927 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.434 1 O4'-C1'-N19 114.471 8.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.995 0 O3'-P-O5' 96.671 -3.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.175 1 O4'-C1'-N19 112.417 5.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 2 C5'-C4'-C3' 106.826 -5.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 0 P-O3'-C3' 124.389 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.658 0 O4'-C1'-N19 110.632 3.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.622 2 O4'-C1'-N19 111.426 4.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.586 2 O4'-C1'-N19 111.55 4.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.474 0.725 0 CA-C-O 120.58 0.229 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -136.52 157.82 45.89 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.882 1.273 . . . . 0.0 109.819 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.48 90.97 3.3 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 78.4 mt -128.3 92.93 39.95 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 106.946 -1.502 . . . . 0.0 106.946 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -56.93 146.31 80.3 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 124.018 3.145 . . . . 0.0 112.873 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 1.076 ' O ' H5'' ' C' ' 13' ' ' ' DA' . 24.3 tt0 -81.75 93.38 6.8 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.943 0.897 . . . . 0.0 109.095 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mm -80.86 141.64 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.783 1.233 . . . . 0.0 108.742 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -123.72 176.04 6.5 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.393 1.877 . . . . 0.0 107.39 177.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.24 -48.59 80.79 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.26 74.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.861 0.864 . . . . 0.0 111.227 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.629 ' OE1' " H3'" ' C' ' 13' ' ' ' DA' . 8.1 tt0 -67.69 -60.19 2.74 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -49.95 -38.68 37.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.06 1.344 . . . . 0.0 112.102 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -62.01 -47.83 83.0 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.873 0.76 . . . . 0.0 110.794 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 51.4 t -67.88 -57.09 10.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 C-N-CA 124.145 0.978 . . . . 0.0 109.387 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 79.7 mmm -48.05 -42.62 28.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.562 1.545 . . . . 0.0 111.685 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -62.82 -43.33 99.09 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 125.635 1.574 . . . . 0.0 109.915 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 t -65.03 -36.76 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.181 0.593 . . . . 0.0 109.435 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -69.36 -42.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -66.28 -24.61 66.59 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 126.668 1.987 . . . . 0.0 111.134 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -69.63 -47.46 63.34 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.91 164.25 26.93 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.98 1.312 . . . . 0.0 107.715 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.3 p -64.94 -60.41 3.09 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 105.556 -2.016 . . . . 0.0 105.556 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 72.3 m -130.87 -155.58 0.7 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 103.375 -2.824 . . . . 0.0 103.375 160.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.29 9.2 tt -151.53 151.54 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 121.527 1.967 . . . . 0.0 112.567 174.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -99.2 178.32 4.94 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 104.413 -2.44 . . . . 0.0 104.413 172.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.441 HG22 ' H71' ' A' ' 7' ' ' ' DT' . 7.1 m -63.66 -56.04 18.79 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' B' ' 31' ' ' LYS . 2.9 m120 -69.26 -16.69 63.64 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 117.295 -1.762 . . . . 0.0 114.34 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -72.66 -43.4 63.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.66 -54.24 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-O 118.902 -0.571 . . . . 0.0 109.742 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.4 mt -54.17 -54.71 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 118.579 0.627 . . . . 0.0 109.948 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 17.1 tppt? -50.46 -49.09 56.11 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.31 -56.22 8.16 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -41.28 63.27 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.051 0.94 . . . . 0.0 111.678 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 66.6 m -61.68 -29.33 70.02 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -73.58 -48.94 28.92 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.401 0.546 . . . . 0.0 110.208 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 47.3 p -70.98 -64.61 0.87 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.348 1.059 . . . . 0.0 111.288 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m -92.87 162.33 14.14 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.425 1.49 . . . . 0.0 111.418 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 80.5 m -58.45 -68.12 0.29 Allowed 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.274 1.029 . . . . 0.0 109.842 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -2.59 113.57 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 129.342 3.057 . . . . 0.0 116.579 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 60.2 p -76.93 176.46 3.43 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 124.481 1.112 . . . . 0.0 109.221 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -52.43 -42.53 60.52 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 123.038 2.492 . . . . 0.0 112.964 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.435 ' O ' ' H73' ' C' ' 16' ' ' ' DT' . 3.0 mppt? -63.21 -53.43 53.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.839 0.856 . . . . 0.0 109.508 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 1.068 ' HA ' ' H72' ' C' ' 16' ' ' ' DT' . 8.0 m -50.36 -36.02 30.59 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.478 1.911 . . . . 0.0 114.109 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -77.67 -44.57 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 124.354 1.062 . . . . 0.0 112.371 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -50.19 -26.04 4.21 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.806 HG23 ' C8 ' ' C' ' 15' ' ' ' DG' . 12.4 t -68.73 -46.35 69.14 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 119.757 1.162 . . . . 0.0 111.913 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 64.9 mtm -53.58 -59.63 4.35 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 42.0 mt -46.54 -58.21 4.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.778 1.231 . . . . 0.0 110.891 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -53.68 -40.38 65.9 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.293 1.437 . . . . 0.0 112.353 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 1.0 ' HG2' ' H71' ' C' ' 14' ' ' ' DT' . 12.5 tpp180 -77.47 -40.22 43.89 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.321 1.048 . . . . 0.0 110.065 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.86 -33.28 74.93 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 123.542 0.737 . . . . 0.0 109.823 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.42 -38.16 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.091 0.956 . . . . 0.0 110.143 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -75.7 -46.34 31.78 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.892 0.877 . . . . 0.0 111.36 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -77.78 -17.64 57.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.491 1.117 . . . . 0.0 112.195 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.11 14.96 55.35 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 116.786 -2.119 . . . . 0.0 117.503 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.81 -34.08 64.44 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 121.874 2.837 . . . . 0.0 110.424 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 84.5 mt -131.58 164.28 26.2 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.431 1.493 . . . . 0.0 108.992 177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -141.51 136.67 31.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.395 1.078 . . . . 0.0 111.015 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 143.25 26.53 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-N 118.915 0.78 . . . . 0.0 112.087 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -146.36 133.75 20.74 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 123.519 0.727 . . . . 0.0 110.502 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -83.16 119.77 24.95 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.853 0.861 . . . . 0.0 109.721 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -127.18 78.69 1.83 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.415 1.486 . . . . 0.0 109.486 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 40.24 -85.8 0.01 OUTLIER Glycine 0 CA--C 1.531 1.078 0 C-N-CA 126.736 2.112 . . . . 0.0 115.388 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -51.92 -53.7 37.95 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.153 1.781 . . . . 0.0 113.341 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -152.88 149.62 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 N-CA-C 104.25 -2.5 . . . . 0.0 104.25 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.471 ' HB3' " H3'" ' A' ' 6' ' ' ' DA' . 0.1 OUTLIER -81.28 152.71 27.46 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 173.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 87.1 t -125.78 138.36 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.37 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.961 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' TYR . . . . . 0.453 ' OH ' ' H73' ' A' ' 7' ' ' ' DT' 0.265 33.9 m-85 -93.31 120.59 33.77 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 101.768 -3.419 . . . . 0.0 101.768 175.11 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 80.4 p -112.61 135.67 21.53 Favored Pre-proline 0 N--CA 1.451 -0.392 0 C-N-CA 124.927 1.291 . . . . 0.0 108.624 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -73.73 116.8 4.8 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 122.419 2.079 . . . . 0.0 111.331 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -62.23 -29.57 70.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.886 1.674 . . . . 0.0 111.271 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 pt -112.13 116.8 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 126.1 1.76 . . . . 0.0 108.652 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -132.12 -40.13 1.04 Allowed 'General case' 0 C--N 1.34 0.175 0 C-N-CA 126.081 1.752 . . . . 0.0 109.635 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.09 -50.64 65.35 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 69.0 m -72.48 -62.38 1.46 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.43 1.092 . . . . 0.0 108.998 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 50.73 60.58 3.76 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.371 1.469 . . . . 0.0 109.702 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 10.9 t80 63.91 115.79 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.689 1.996 . . . . 0.0 112.166 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 mt -89.35 97.15 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.75 121.57 21.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.896 0.879 . . . . 0.0 109.032 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 14.4 p -74.35 138.03 21.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 123.54 0.736 . . . . 0.0 109.245 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -138.1 -60.86 0.62 Allowed 'General case' 0 C--N 1.339 0.132 0 C-N-CA 124.412 1.085 . . . . 0.0 109.105 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--O 1.252 1.188 0 CA-C-O 117.35 -1.309 . . . . 0.0 109.979 179.597 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.965 0 O4'-C4'-C3' 108.857 3.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 0 P-O3'-C3' 124.265 3.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 0 P-O3'-C3' 124.348 3.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.38 4.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.371 1 O4'-C1'-N19 112.839 6.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ' DA' . . . . . 0.67 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.54 3.603 3 C4'-C3'-C2' 97.166 -6.034 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.641 2.844 2 O4'-C1'-N19 112.418 5.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.632 1 P-O3'-C3' 125.298 4.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 1 P-O3'-C3' 124.938 4.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.914 1 O4'-C1'-N19 111.861 5.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.968 0 C4'-C3'-C2' 99.877 -3.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.692 1 O4'-C1'-N19 116.201 10.501 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.591 H5'' ' OE1' ' B' ' 11' ' ' GLU . . . . . . . . 0 O4'--C4' 1.414 -2.948 1 O4'-C4'-C3' 109.745 4.145 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.715 ' H72' ' HA ' ' B' ' 47' ' ' MET . . . . . . . . 0 C5'--C4' 1.54 3.652 3 P-O3'-C3' 126.041 5.284 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.318 0 O4'-C1'-N19 110.767 3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . 1.112 ' C7 ' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.541 3.688 1 O4'-C1'-N19 112.292 5.615 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.209 1 O4'-C1'-N19 111.717 4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 2 O4'-C1'-N19 112.585 5.981 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.162 2 O4'-C1'-N19 113.693 7.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.955 1 O4'-C1'-N19 114.475 8.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 0 P-O3'-C3' 124.001 3.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.868 0 O4'-C1'-N19 110.645 3.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 2 O4'-C1'-N19 113.384 6.979 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.86 1 O4'-C1'-N19 112.877 6.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptp . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -80.95 72.22 7.95 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.042 0.937 . . . . 0.0 108.788 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -163.94 113.16 1.22 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.337 1.055 . . . . 0.0 108.712 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 8.5 tp -85.19 119.0 71.98 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 124.511 1.124 . . . . 0.0 108.17 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -59.28 132.8 48.65 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.945 2.43 . . . . 0.0 112.154 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.526 ' O ' H5'' ' C' ' 13' ' ' ' DA' . 27.8 tp60 -78.43 81.43 4.77 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 59.0 mt -80.78 144.83 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 124.538 1.135 . . . . 0.0 111.84 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 84.1 p -135.0 -169.28 2.33 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 127.866 2.466 . . . . 0.0 106.686 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -61.23 -47.95 83.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.93 94.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.169 0.987 . . . . 0.0 113.399 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.591 ' OE1' H5'' ' C' ' 13' ' ' ' DA' . 13.6 tt0 -64.49 -52.39 58.14 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.567 0.622 . . . . 0.0 110.513 -178.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -41.25 97.68 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.594 1.158 . . . . 0.0 111.829 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -52.7 -36.07 56.64 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 118.51 0.595 . . . . 0.0 111.831 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.93 -58.47 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.876 0.87 . . . . 0.0 109.015 177.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' MET . . . . . 0.575 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 24.4 mtp -45.99 -44.9 15.41 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 125.548 1.539 . . . . 0.0 111.226 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -47.89 -49.98 28.05 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.885 1.674 . . . . 0.0 110.825 177.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 t -68.39 -48.17 74.15 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 CA-C-N 118.784 0.72 . . . . 0.0 110.481 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mt -57.0 -40.09 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 124.394 1.078 . . . . 0.0 112.017 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -65.78 -23.56 66.74 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.95 -46.94 64.19 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' HIS . . . . . 0.831 ' CD2' ' O ' ' B' ' 23' ' ' SER . 2.7 t60 -70.89 153.44 42.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.159 1.783 . . . . 0.0 109.363 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -59.68 -58.88 6.67 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.831 ' O ' ' CD2' ' B' ' 21' ' ' HIS . 33.9 m -128.8 -155.08 0.68 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 101.135 -3.654 . . . . 0.0 101.135 164.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.321 13.2 tt -150.91 137.95 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 121.911 2.141 . . . . 0.0 112.221 172.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -96.25 134.45 39.35 Favored 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 100.738 -3.801 . . . . 0.0 100.738 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.02 -32.89 0.72 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.902 2.081 . . . . 0.0 113.458 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -41.69 87.04 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 120.044 1.293 . . . . 0.0 110.933 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -71.74 -36.5 70.46 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.414 0.685 . . . . 0.0 111.498 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -55.04 19.0 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 26.5 mt -59.61 -52.62 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 124.19 0.996 . . . . 0.0 109.178 177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -46.52 -41.81 14.75 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 123.543 0.527 . . . . 0.0 112.233 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -82.87 -61.64 1.82 Allowed 'General case' 0 C--N 1.343 0.318 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.16 -38.22 85.68 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -176.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 6.9 t -66.25 -27.74 68.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.362 0.983 . . . . 0.0 112.924 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -78.71 -46.84 18.11 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.077 0.551 . . . . 0.0 110.468 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.1 p -71.92 -56.62 5.36 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.223 1.009 . . . . 0.0 111.392 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 40.5 m -92.69 162.1 14.29 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.722 1.209 . . . . 0.0 110.18 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -60.66 -58.22 9.38 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.096 0.958 . . . . 0.0 110.691 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -11.02 118.98 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 130.126 3.37 . . . . 0.0 115.973 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 40.2 t -67.63 158.47 82.67 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 125.412 1.485 . . . . 0.0 109.214 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -49.36 -42.15 41.52 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.833 2.356 . . . . 0.0 112.247 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -65.96 -40.29 91.16 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.741 0.816 . . . . 0.0 111.518 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 1.112 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 39.2 m -59.71 -46.62 88.54 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.112 0.565 . . . . 0.0 109.778 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.76 -63.19 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.511 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -42.42 -34.74 0.87 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.414 1.486 . . . . 0.0 114.729 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 96.4 m -84.0 -27.49 28.38 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.809 0.843 . . . . 0.0 113.243 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.715 ' HA ' ' H72' ' C' ' 14' ' ' ' DT' . 94.0 mtp -53.01 -48.23 67.69 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LEU . . . . . 0.413 ' H ' ' CD2' ' B' ' 48' ' ' LEU . 0.9 OUTLIER -57.84 -44.79 86.71 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 126.347 1.859 . . . . 0.0 112.331 177.604 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 20.4 tp -43.47 -52.83 5.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.189 1.396 . . . . 0.0 114.41 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.437 ' HB2' ' H71' ' C' ' 14' ' ' ' DT' . 31.8 mmt180 -69.59 -40.16 76.86 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.27 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 11.0 mp -54.82 -34.06 62.34 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 119.644 1.111 . . . . 0.0 109.932 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.05 -29.32 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 123.54 0.736 . . . . 0.0 111.247 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -79.3 -46.5 17.6 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.242 1.017 . . . . 0.0 111.275 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -86.33 -17.53 34.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.468 1.507 . . . . 0.0 112.726 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.17 11.29 30.01 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 120.233 2.853 . . . . 0.0 120.233 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.5 -51.17 46.08 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 123.598 3.699 . . . . 0.0 109.907 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.54 166.29 12.27 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.116 1.766 . . . . 0.0 110.999 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -141.05 134.5 29.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.172 1.389 . . . . 0.0 109.531 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.4 149.39 21.28 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 119.578 1.081 . . . . 0.0 112.626 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -146.2 121.34 10.14 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.04 0.936 . . . . 0.0 110.563 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -82.92 94.97 7.83 Favored 'General case' 0 C--N 1.343 0.304 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -93.26 95.82 9.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.741 1.616 . . . . 0.0 112.494 -176.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.73 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.528 0.887 0 C-N-CA 125.409 1.481 . . . . 0.0 114.105 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -80.51 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.469 1.108 . . . . 0.0 109.486 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.67 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 27.3 m -135.05 173.46 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.017 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . 0.591 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -81.3 153.89 26.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 -173.363 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 m -125.87 139.69 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.764 0 C-N-CA 126.607 1.963 . . . . 0.0 110.328 173.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.27 8.5 m-85 -94.15 121.26 35.46 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 73.2 p -100.53 113.56 65.56 Favored Pre-proline 0 N--CA 1.452 -0.361 0 C-N-CA 126.614 1.966 . . . . 0.0 109.759 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -57.33 106.44 0.23 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.484 2.789 . . . . 0.0 110.748 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -71.87 -9.34 58.18 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.735 0.814 . . . . 0.0 112.213 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.37 138.92 39.62 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 C-N-CA 125.188 1.395 . . . . 0.0 110.061 178.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -143.4 -52.79 0.36 Allowed 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.467 1.507 . . . . 0.0 108.615 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.79 -38.42 78.52 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.023 1.329 . . . . 0.0 110.911 177.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t -83.87 -71.64 0.5 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.611 1.164 . . . . 0.0 109.274 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 t70 48.55 51.66 15.07 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.285 1.434 . . . . 0.0 109.365 -178.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 27.3 t80 68.49 119.88 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 127.717 2.407 . . . . 0.0 111.769 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 30.5 mm -122.55 105.0 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 106.781 -1.562 . . . . 0.0 106.781 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -77.32 99.63 5.61 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -76.79 130.25 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 123.464 0.705 . . . . 0.0 109.218 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -168.57 165.43 12.32 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.558 1.143 . . . . 0.0 109.869 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.152 -1.404 . . . . 0.0 109.407 179.905 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' PRO . . . . . 0.509 ' HB3' ' HB2' ' B' ' 56' ' ' ALA . 68.3 Cg_endo . . . . . 0 N--CA 1.455 -0.759 0 N-CA-C 110.782 -0.507 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -84.19 109.36 17.68 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 35.6 mm -81.06 152.16 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.639 1.176 . . . . 0.0 111.41 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t -149.33 -174.62 4.71 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.542 2.337 . . . . 0.0 107.375 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.73 -61.19 2.8 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.316 0.646 . . . . 0.0 110.04 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -31.1 72.05 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.539 0.736 . . . . 0.0 112.599 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.689 ' O ' ' HG3' ' B' ' 15' ' ' MET . 0.0 OUTLIER -62.65 -52.76 62.07 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.414 0.685 . . . . 0.0 110.45 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.51 -45.99 84.89 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.226 1.01 . . . . 0.0 112.147 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -48.15 -47.33 34.94 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 m -69.38 -40.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-N 118.562 0.619 . . . . 0.0 111.481 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.689 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 27.0 mtp -51.64 -45.58 63.39 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.475 1.11 . . . . 0.0 110.499 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -51.31 -48.58 62.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 126.221 1.808 . . . . 0.0 111.168 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 t -65.94 -38.48 82.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.279 0 C-N-CA 123.284 0.634 . . . . 0.0 110.523 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.53 -44.14 90.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -68.95 -27.14 65.47 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.632 1.173 . . . . 0.0 111.705 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.35 -47.36 82.46 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -79.36 167.74 20.46 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.448 1.499 . . . . 0.0 107.999 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 43.6 p -63.71 -59.49 4.52 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 69.6 m -129.84 -154.55 0.64 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 102.475 -3.157 . . . . 0.0 102.475 163.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.356 10.3 tt -150.84 151.95 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 122.178 2.263 . . . . 0.0 113.371 174.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -110.98 148.27 32.89 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -43.13 -36.29 1.63 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -177.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -45.33 86.39 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 120.996 1.726 . . . . 0.0 111.086 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.92 -39.37 87.36 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -59.43 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.404 HG12 HG21 ' B' ' 44' ' ' ILE . 37.8 mt -60.35 -49.93 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.445 0.698 . . . . 0.0 110.461 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -48.98 -38.75 24.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 123.551 0.532 . . . . 0.0 112.339 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.26 -56.66 3.78 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.439 0.696 . . . . 0.0 112.371 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.01 -39.89 66.53 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 126.479 1.911 . . . . 0.0 112.044 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 95.4 p -67.53 -39.72 85.04 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.944 0.898 . . . . 0.0 112.511 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -70.99 -45.17 64.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.345 0.658 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.2 p -72.02 -65.29 0.79 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.869 0.867 . . . . 0.0 111.471 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 56.5 m -96.32 162.3 13.56 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.93 1.292 . . . . 0.0 111.769 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 35.6 p -54.72 -68.1 0.21 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.742 1.217 . . . . 0.0 110.286 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -3.6 115.79 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 129.871 3.268 . . . . 0.0 116.512 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 76.9 p -77.61 173.21 7.94 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 124.526 1.13 . . . . 0.0 109.411 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -51.72 -32.34 45.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.479 2.786 . . . . 0.0 113.278 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.08 -57.29 4.67 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.704 0.801 . . . . 0.0 108.895 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 11.9 m -51.07 -40.71 58.98 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 127.431 2.292 . . . . 0.0 113.076 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.404 HG21 HG12 ' B' ' 30' ' ' ILE . 22.7 mt -57.38 -49.35 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 125.404 1.482 . . . . 0.0 113.141 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -56.25 -30.94 63.07 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 118.411 2.745 . . . . 0.0 118.411 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.1 t -61.92 -43.62 98.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 120.828 1.649 . . . . 0.0 111.235 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.556 ' O ' HD22 ' B' ' 51' ' ' LEU . 4.1 mpp? -58.98 -25.59 63.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.93 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -87.65 -60.5 1.96 Allowed 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.339 1.056 . . . . 0.0 111.503 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.12 -54.21 46.11 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 126.26 1.824 . . . . 0.0 114.223 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -66.47 -43.67 84.84 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 118.09 0.405 . . . . 0.0 111.635 -176.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.556 HD22 ' O ' ' B' ' 47' ' ' MET . 5.9 mp -51.15 -52.94 39.14 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 124.903 1.281 . . . . 0.0 107.986 173.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -59.89 -42.83 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 118.153 0.433 . . . . 0.0 111.666 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.52 -37.57 81.56 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.627 0.771 . . . . 0.0 110.916 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -94.0 -9.41 36.96 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.899 1.28 . . . . 0.0 113.623 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.15 0.64 41.35 Favored Glycine 0 CA--C 1.533 1.216 0 CA-C-O 117.155 -1.914 . . . . 0.0 117.592 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.509 ' HB2' ' HB3' ' B' ' 5' ' ' PRO . . . -59.07 -51.25 70.86 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 121.44 2.62 . . . . 0.0 112.829 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 mp -122.45 166.98 13.9 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.96 2.504 . . . . 0.0 109.953 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -140.61 128.4 21.76 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.523 0.729 . . . . 0.0 111.153 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.53 150.01 20.78 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 119.01 0.823 . . . . 0.0 111.715 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -146.12 126.43 13.95 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 123.998 0.919 . . . . 0.0 110.112 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -83.57 93.13 7.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -86.97 138.03 31.86 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 126.753 2.021 . . . . 0.0 110.259 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -4.45 -68.7 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 C-N-CA 128.92 3.152 . . . . 0.0 115.928 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -72.41 -79.39 0.08 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.456 0.628 . . . . 0.0 110.258 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 34.0 m -133.4 173.69 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 N-CA-C 105.535 -2.024 . . . . 0.0 105.535 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.36 153.23 28.48 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -173.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.18 132.86 70.12 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.543 0 CA-C-N 112.112 -2.313 . . . . 0.0 109.9 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -95.0 120.98 36.13 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 103.46 -2.793 . . . . 0.0 103.46 174.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 73.2 p -112.9 128.57 25.44 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 125.384 1.473 . . . . 0.0 111.039 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -57.02 113.31 1.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.797 2.998 . . . . 0.0 111.395 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -76.38 -9.29 58.54 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.126 0.971 . . . . 0.0 111.465 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ILE . . . . . 0.572 HD12 ' H ' ' B' ' 72' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 127.479 2.311 . . . . 0.0 107.471 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo . . . . . 0 N--CA 1.461 -0.434 0 N-CA-C 111.083 -0.391 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -78.12 76.57 4.63 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -81.12 136.56 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.704 0.802 . . . . 0.0 109.944 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 30.7 t -132.76 -134.75 0.18 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -82.54 -56.64 3.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.62 -44.0 36.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.628 1.571 . . . . 0.0 114.741 -177.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -72.99 -47.55 44.2 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.65 -35.26 72.25 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.829 0.852 . . . . 0.0 111.419 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -55.8 -46.95 77.9 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.219 0.918 . . . . 0.0 109.516 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.76 -60.25 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 124.117 0.967 . . . . 0.0 110.212 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.9 mmt -51.4 -39.74 57.83 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.958 1.303 . . . . 0.0 112.625 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.62 -53.35 55.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.227 1.411 . . . . 0.0 109.828 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.02 -47.93 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 124.234 1.014 . . . . 0.0 110.091 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.32 -42.15 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 123.361 0.664 . . . . 0.0 111.044 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -67.15 -19.98 65.68 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -68.83 -48.23 64.05 Favored 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' B' ' 23' ' ' SER . 2.1 t-80 -72.76 152.43 41.61 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.033 1.733 . . . . 0.0 108.992 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -57.47 -58.27 9.0 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' SER . . . . . 0.46 ' O ' ' CG ' ' B' ' 21' ' ' HIS . 28.6 p -128.35 -154.5 0.64 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 101.647 -3.464 . . . . 0.0 101.647 166.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.336 14.7 tt -150.52 141.5 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 122.852 2.569 . . . . 0.0 112.573 172.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -102.7 127.85 49.65 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 100.634 -3.839 . . . . 0.0 100.634 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -42.26 -29.35 0.25 Allowed 'General case' 0 C--O 1.227 -0.085 0 C-N-CA 127.755 2.422 . . . . 0.0 114.708 -173.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' B' ' 31' ' ' LYS . 9.1 p-10 -61.55 -38.56 87.92 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 118.683 -1.207 . . . . 0.0 111.816 177.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -73.21 -37.83 66.31 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.534 0.733 . . . . 0.0 110.923 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -56.17 17.31 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -60.46 -52.8 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 123.769 0.828 . . . . 0.0 109.857 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 60.0 tptt -49.79 -36.96 28.06 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -84.78 -58.61 2.64 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 118.957 0.799 . . . . 0.0 112.457 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.34 -35.24 73.48 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 61.6 m -65.41 -32.41 74.02 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 119.301 0.955 . . . . 0.0 112.583 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -78.22 -44.31 25.99 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.882 0.873 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 61.6 p -74.83 -58.29 3.38 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.645 0.778 . . . . 0.0 111.247 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 46.5 m -92.72 162.05 14.3 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.537 1.135 . . . . 0.0 110.46 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.7 p -59.38 -56.29 23.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.052 0.941 . . . . 0.0 110.364 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -15.92 119.86 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 129.703 3.201 . . . . 0.0 116.05 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -76.43 175.43 4.35 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 125.252 1.421 . . . . 0.0 108.961 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -52.62 -45.11 42.46 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.913 2.409 . . . . 0.0 112.99 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -62.55 -52.84 61.86 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.701 0.8 . . . . 0.0 110.458 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 10.6 m -47.45 -29.85 2.99 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.88 2.072 . . . . 0.0 114.226 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 75.6 mt -83.05 -47.02 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 124.297 1.039 . . . . 0.0 111.683 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -43.81 -35.89 2.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.974 1.709 . . . . 0.0 114.689 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.5 t -59.74 -42.7 93.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 118.673 0.67 . . . . 0.0 112.171 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 34.0 mtt -54.46 -55.03 33.07 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.096 -177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.463 ' H ' ' CD2' ' B' ' 48' ' ' LEU . 0.7 OUTLIER -56.2 -57.28 12.86 Favored 'General case' 0 N--CA 1.435 -1.208 0 C-N-CA 123.32 0.648 . . . . 0.0 111.525 178.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -52.51 -51.59 58.77 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.438 1.095 . . . . 0.0 112.58 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -68.39 -48.39 64.83 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 118.562 -0.733 . . . . 0.0 111.211 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 mp -50.08 -41.21 47.65 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 119.108 0.867 . . . . 0.0 109.0 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 64.8 mt -69.42 -35.78 68.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 118.925 0.784 . . . . 0.0 111.57 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -67.49 -46.48 72.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.935 0.894 . . . . 0.0 111.316 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -83.19 -17.71 41.88 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.742 0.817 . . . . 0.0 111.893 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.17 5.41 40.55 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-O 116.701 -2.166 . . . . 0.0 117.836 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.09 95.25 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 122.104 2.952 . . . . 0.0 111.025 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.41 166.89 12.11 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.576 1.95 . . . . 0.0 111.27 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -141.27 131.67 25.2 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.46 1.104 . . . . 0.0 109.834 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.34 148.06 22.38 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.98 1.263 . . . . 0.0 111.518 177.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -146.55 129.3 16.19 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 124.714 1.206 . . . . 0.0 110.956 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -83.78 108.88 17.09 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 123.525 0.73 . . . . 0.0 109.707 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -98.05 137.76 36.37 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 127.292 2.237 . . . . 0.0 107.694 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -14.59 -59.77 0.01 OUTLIER Glycine 0 C--N 1.344 0.979 0 C-N-CA 128.464 2.935 . . . . 0.0 115.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -68.72 -83.77 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.3 m -136.33 172.65 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 125.177 1.391 . . . . 0.0 107.3 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.59 150.88 27.93 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -173.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -122.88 139.48 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.317 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.808 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' B' ' 48' ' ' LEU . 68.9 m-85 -95.46 120.92 36.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 112.68 -2.055 . . . . 0.0 105.639 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 44.6 p -109.21 123.79 35.83 Favored Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 125.582 1.553 . . . . 0.0 111.9 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -59.52 111.77 1.04 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.343 2.695 . . . . 0.0 110.805 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -75.85 -13.28 60.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.579 0.752 . . . . 0.0 111.173 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.403 0 C-N-CA 125.244 1.417 . . . . 0.0 108.814 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo . . . . . 0 N--CA 1.456 -0.723 0 CA-C-O 120.862 0.276 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -84.28 93.89 8.32 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -80.36 142.57 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.879 1.272 . . . . 0.0 111.114 -176.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.0 t -128.0 177.03 7.15 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 127.235 2.214 . . . . 0.0 107.671 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.71 -61.08 2.85 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.84 31.59 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.682 1.193 . . . . 0.0 112.467 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.645 ' O ' ' HG3' ' B' ' 15' ' ' MET . 19.6 tt0 -61.59 -52.41 64.52 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.065 0.946 . . . . 0.0 111.733 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -34.15 57.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.547 1.139 . . . . 0.0 112.187 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -49.17 -41.07 35.44 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.29 -44.95 35.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 20.5 mtp -54.48 -40.9 68.92 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.314 1.046 . . . . 0.0 110.624 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -54.91 -50.15 69.51 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.135 1.374 . . . . 0.0 107.969 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 38.2 t -67.1 -37.52 79.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.368 1.067 . . . . 0.0 111.311 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 10.0 mt -64.36 -43.59 97.1 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 CA-C-N 119.349 0.977 . . . . 0.0 109.447 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -61.47 -19.23 61.79 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.811 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -68.95 -49.49 57.56 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 175.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' HIS . . . . . 0.85 ' ND1' ' O ' ' B' ' 23' ' ' SER . 15.0 t-80 -69.87 159.1 34.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.391 1.476 . . . . 0.0 108.163 177.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 23.3 p -62.29 -60.06 4.11 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' SER . . . . . 0.85 ' O ' ' ND1' ' B' ' 21' ' ' HIS . 56.7 m -130.35 -154.84 0.66 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 101.798 -3.408 . . . . 0.0 101.798 160.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.275 10.8 tt -150.7 151.62 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 O-C-N 119.936 -1.728 . . . . 0.0 111.408 174.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -112.35 173.83 6.18 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 122.283 2.31 . . . . 0.0 104.883 174.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -19.61 48.62 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -178.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -54.44 5.06 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 119.723 1.147 . . . . 0.0 111.107 176.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.12 -39.22 66.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.046 1.339 . . . . 0.0 112.026 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.0 -45.67 96.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 125.114 1.365 . . . . 0.0 110.866 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.45 -61.07 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.189 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -48.81 -32.96 9.55 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.126 0.97 . . . . 0.0 112.725 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -84.95 -61.82 1.69 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.778 0.831 . . . . 0.0 113.127 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.58 -57.11 5.6 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.0 p -42.76 -37.38 1.75 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -67.1 -48.54 67.85 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.091 0.556 . . . . 0.0 111.721 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 75.2 p -78.09 -47.58 17.96 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.229 1.012 . . . . 0.0 113.403 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 100.0 p -92.68 162.5 14.13 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 125.161 1.384 . . . . 0.0 113.244 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 31.7 p -58.59 -66.94 0.41 Allowed 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.618 1.167 . . . . 0.0 108.102 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -11.14 97.62 0.01 OUTLIER 'General case' 0 C--N 1.345 0.392 0 C-N-CA 129.185 2.994 . . . . 0.0 113.847 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 59.7 p -61.41 159.07 34.0 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 124.604 1.162 . . . . 0.0 110.125 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -44.24 -37.1 9.77 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 124.52 3.48 . . . . 0.0 114.666 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -66.99 -44.04 81.42 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.455 0.702 . . . . 0.0 110.139 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.617 ' O ' ' HG3' ' B' ' 47' ' ' MET . 76.9 m -67.78 -21.95 65.22 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.545 1.538 . . . . 0.0 112.536 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.6 mm -65.98 -42.05 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 118.667 0.667 . . . . 0.0 110.448 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -49.6 -48.03 49.16 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.006 1.323 . . . . 0.0 113.164 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -68.25 -36.95 80.25 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.5 -1.238 . . . . 0.0 112.841 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.617 ' HG3' ' O ' ' B' ' 43' ' ' THR . 9.9 mtm -45.85 -26.58 0.7 Allowed 'General case' 0 C--N 1.344 0.343 0 C-N-CA 126.388 1.875 . . . . 0.0 114.758 -172.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.609 HD13 ' CE2' ' B' ' 68' ' ' TYR . 70.4 mt -85.72 -55.63 3.88 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 126.213 1.805 . . . . 0.0 108.479 178.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -17.93 59.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.033 2.133 . . . . 0.0 112.951 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -55.36 -60.81 2.89 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 119.462 1.028 . . . . 0.0 108.493 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -50.58 -54.34 23.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.134 1.773 . . . . 0.0 111.18 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 19.4 mt -48.39 -35.61 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.718 1.607 . . . . 0.0 113.008 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -55.43 -46.35 76.69 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.323 0.511 . . . . 0.0 111.156 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -92.73 -17.93 23.6 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.42 0.688 . . . . 0.0 110.533 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.69 20.09 12.34 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 117.514 -1.715 . . . . 0.0 114.523 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.49 -7.68 49.07 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.765 2.283 . . . . 0.0 112.994 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.1 mt -151.12 164.55 36.25 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.02 2.528 . . . . 0.0 106.93 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -142.12 124.57 15.71 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 117.425 -1.274 . . . . 0.0 110.423 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -93.85 149.24 21.4 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 120.736 1.607 . . . . 0.0 111.845 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -147.12 144.63 29.16 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 125.17 1.388 . . . . 0.0 108.56 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -83.0 97.98 9.02 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -86.97 79.14 8.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.686 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 58.78 -88.38 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 C-N-CA 125.127 1.346 . . . . 0.0 112.804 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -67.59 -61.71 1.76 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.184 0.993 . . . . 0.0 111.161 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.11 158.49 43.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 C-N-CA 123.896 0.878 . . . . 0.0 112.234 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.29 134.07 35.26 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 125.64 1.576 . . . . 0.0 108.698 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 40.1 t -125.94 139.69 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 113.823 -1.535 . . . . 0.0 108.755 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' TYR . . . . . 0.609 ' CE2' HD13 ' B' ' 48' ' ' LEU . 0.9 OUTLIER -93.96 120.56 34.39 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 103.935 -2.617 . . . . 0.0 103.935 -178.146 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 33.8 p -96.07 127.83 39.34 Favored Pre-proline 0 C--N 1.342 0.239 0 C-N-CA 125.03 1.332 . . . . 0.0 112.093 -173.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -56.56 96.7 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.768 2.979 . . . . 0.0 113.044 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -64.16 -33.89 76.81 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.03 0.932 . . . . 0.0 109.582 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 10.2 pt . . . . . 0 CA--C 1.533 0.318 0 C-N-CA 126.676 1.99 . . . . 0.0 106.52 178.21 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo . . . . . 0 N--CA 1.454 -0.805 0 N-CA-C 109.873 -0.856 . . . . 0.0 109.873 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -72.24 102.46 3.09 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -80.79 117.87 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 30.7 m -100.13 179.99 4.31 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.543 1.537 . . . . 0.0 108.283 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.86 -52.91 63.44 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -22.2 66.96 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.18 0.992 . . . . 0.0 113.349 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -73.2 -54.82 7.48 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.794 0.725 . . . . 0.0 110.075 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -56.64 -36.75 69.87 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.287 0.635 . . . . 0.0 111.809 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.57 -47.54 79.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.669 0.788 . . . . 0.0 110.891 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 m -73.2 -51.37 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 118.47 -0.776 . . . . 0.0 110.278 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 6.4 mmt -46.72 -36.98 7.75 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.421 1.088 . . . . 0.0 112.447 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -56.1 -52.48 64.14 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.472 1.109 . . . . 0.0 110.098 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.66 -40.0 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.466 0.707 . . . . 0.0 110.397 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mt -64.47 -44.15 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 122.508 0.323 . . . . 0.0 110.145 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -72.5 -24.24 61.14 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.833 0.853 . . . . 0.0 111.319 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -64.31 -45.46 87.83 Favored 'General case' 0 C--N 1.345 0.37 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -77.68 158.7 29.57 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.961 1.304 . . . . 0.0 107.635 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.4 p -58.72 -58.89 6.6 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -129.35 -154.12 0.61 Allowed 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 101.929 -3.36 . . . . 0.0 101.929 164.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.378 9.4 tt -150.4 152.05 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 121.85 2.113 . . . . 0.0 112.922 173.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -112.42 133.36 54.54 Favored 'General case' 0 N--CA 1.441 -0.883 1 N-CA-C 98.986 -4.45 . . . . 0.0 98.986 175.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 36.4 m -42.74 -26.98 0.15 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.533 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 0.1 OUTLIER -62.33 -44.49 96.36 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 120.521 1.51 . . . . 0.0 111.841 177.145 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -67.5 -41.83 83.84 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -57.15 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 118.675 -0.679 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 32.5 mt -59.29 -46.43 92.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 118.652 0.66 . . . . 0.0 110.344 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 0.8 OUTLIER -54.41 -39.22 67.09 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.358 0.663 . . . . 0.0 111.644 177.889 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.66 -61.87 1.86 Allowed 'General case' 0 C--N 1.342 0.281 0 CA-C-N 118.871 0.76 . . . . 0.0 112.29 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 mp -52.66 -40.99 63.39 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 127.178 2.191 . . . . 0.0 112.571 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -66.82 -39.73 87.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.516 0.726 . . . . 0.0 112.056 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -73.03 -44.42 60.87 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.241 0.616 . . . . 0.0 111.215 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p -73.43 -62.21 1.56 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.641 0.776 . . . . 0.0 111.741 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 16.1 t -92.84 162.18 14.2 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.693 1.197 . . . . 0.0 111.508 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 62.1 m -55.5 -60.75 2.99 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.909 1.284 . . . . 0.0 110.12 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -15.85 118.47 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 128.988 2.915 . . . . 0.0 115.582 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 58.4 p -77.76 174.59 5.7 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.805 1.242 . . . . 0.0 109.55 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -51.48 -39.71 64.13 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 123.368 2.712 . . . . 0.0 113.065 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -67.94 -52.32 37.41 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.604 0.762 . . . . 0.0 110.035 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.9 m -51.58 -30.75 22.07 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.11 1.764 . . . . 0.0 113.22 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.3 mt -77.17 -46.49 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 125.051 1.341 . . . . 0.0 112.32 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -48.8 -31.09 6.48 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.528 HG23 ' N ' ' B' ' 47' ' ' MET . 11.4 t -64.11 -54.79 28.46 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.528 ' N ' HG23 ' B' ' 46' ' ' THR . 68.4 mtm -51.4 -52.52 45.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.573 1.149 . . . . 0.0 108.997 -176.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.2 mt -53.68 -53.22 55.13 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.363 1.465 . . . . 0.0 111.315 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.14 -45.31 85.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.424 1.09 . . . . 0.0 112.541 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -68.06 -44.23 76.83 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 123.438 0.695 . . . . 0.0 111.835 -176.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.616 ' HB3' ' HB3' ' B' ' 56' ' ' ALA . 5.3 mp -52.27 -45.54 65.49 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 172.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.551 HD13 ' CD2' ' B' ' 59' ' ' HIS . 59.5 mt -62.29 -43.12 97.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.667 0.667 . . . . 0.0 111.237 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.96 -40.14 94.57 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.607 0.763 . . . . 0.0 110.686 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -89.18 -7.1 56.28 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.817 1.247 . . . . 0.0 113.558 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.33 -9.18 45.41 Favored Glycine 0 CA--C 1.535 1.324 0 N-CA-C 117.961 1.945 . . . . 0.0 117.961 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.616 ' HB3' ' HB3' ' B' ' 51' ' ' LEU . . . -56.33 -60.78 3.02 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 121.437 2.618 . . . . 0.0 113.235 178.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 mp -109.27 167.3 10.21 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.365 1.866 . . . . 0.0 112.743 -175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -140.76 118.67 11.81 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.958 0.903 . . . . 0.0 111.84 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' HIS . . . . . 0.551 ' CD2' HD13 ' B' ' 52' ' ' ILE . 0.2 OUTLIER -94.17 135.43 35.56 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.449 1.022 . . . . 0.0 111.737 177.454 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -147.2 142.14 26.96 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.091 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -83.91 115.41 22.28 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.355 1.062 . . . . 0.0 109.687 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -119.21 109.18 15.55 Favored 'General case' 0 C--N 1.343 0.326 0 C-N-CA 124.768 1.227 . . . . 0.0 112.319 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 50.96 -92.4 0.01 OUTLIER Glycine 0 C--N 1.341 0.813 0 C-N-CA 125.48 1.514 . . . . 0.0 113.593 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -67.99 -84.12 0.03 OUTLIER 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.94 0.896 . . . . 0.0 110.196 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 28.1 m -123.71 173.63 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' B' ' 66' ' ' PHE . 0.0 OUTLIER -80.79 153.88 27.49 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -173.438 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 45.3 t -118.47 135.66 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 114.286 -1.325 . . . . 0.0 111.361 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.302 10.0 m-85 -94.37 121.35 35.8 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 173.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 66.9 p -117.2 123.57 29.92 Favored Pre-proline 0 CA--C 1.532 0.254 0 C-N-CA 123.737 0.815 . . . . 0.0 111.432 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -59.83 107.22 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 124.082 3.188 . . . . 0.0 110.469 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -74.34 -7.6 53.39 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.202 0.601 . . . . 0.0 111.782 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.393 0 C-N-CA 125.329 1.451 . . . . 0.0 110.124 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo . . . . . 0 N--CA 1.463 -0.319 0 N-CA-C 112.919 0.315 . . . . 0.0 112.919 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -78.29 81.75 4.63 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 58.4 mt -80.83 143.02 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.838 0.855 . . . . 0.0 110.88 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 96.6 p -139.54 -165.46 1.87 Allowed 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 127.025 2.13 . . . . 0.0 106.898 178.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -61.13 -47.87 84.28 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.01 82.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.028 0.931 . . . . 0.0 113.101 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -69.65 -46.48 66.06 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.323 0.51 . . . . 0.0 109.671 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' B' ' 16' ' ' LYS . 19.7 tp -61.11 -31.57 71.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.97 -43.98 98.0 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.071 0.85 . . . . 0.0 109.003 176.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -67.87 -60.36 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 124.471 1.108 . . . . 0.0 110.095 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 18.1 mmm -53.2 -41.56 65.4 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 125.035 1.334 . . . . 0.0 111.392 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' B' ' 12' ' ' LEU . 66.0 tttp -55.42 -50.64 69.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.607 1.563 . . . . 0.0 110.982 177.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.6 t -63.04 -48.77 86.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.339 0 C-N-CA 123.351 0.66 . . . . 0.0 110.279 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.8 mt -58.93 -41.81 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.978 0.911 . . . . 0.0 112.015 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -64.77 -17.64 64.36 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -71.0 -50.15 37.35 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.212 0.915 . . . . 0.0 108.746 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' HIS . . . . . 0.427 ' CG ' ' O ' ' B' ' 23' ' ' SER . 1.2 t-80 -72.39 153.26 41.54 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.904 1.682 . . . . 0.0 109.679 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 36.0 p -57.34 -58.42 8.34 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' B' ' 21' ' ' HIS . 37.1 m -128.42 -155.31 0.69 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 101.884 -3.376 . . . . 0.0 101.884 165.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.315 6.8 tt -151.54 139.38 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 122.608 2.458 . . . . 0.0 112.111 172.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -95.79 134.16 39.07 Favored 'General case' 0 N--CA 1.432 -1.356 0 N-CA-C 100.338 -3.949 . . . . 0.0 100.338 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.77 -34.61 0.95 Allowed 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 127.349 2.26 . . . . 0.0 112.876 -176.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 0.1 OUTLIER -56.48 -43.43 79.62 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.428 1.013 . . . . 0.0 111.847 178.752 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -67.96 -36.48 80.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 118.187 0.449 . . . . 0.0 110.802 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.87 -56.97 14.2 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 C-N-CA 123.612 0.765 . . . . 0.0 108.97 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.471 HD11 ' CG ' ' B' ' 45' ' ' GLN . 15.5 mt -61.53 -51.46 72.55 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 26.1 tptp -46.5 -40.73 13.01 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.29 0.636 . . . . 0.0 112.237 177.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -84.83 -61.73 1.71 Allowed 'General case' 0 C--N 1.344 0.339 0 C-N-CA 123.718 0.807 . . . . 0.0 112.671 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.29 -46.78 79.6 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.769 0.828 . . . . 0.0 113.201 -177.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 16.8 t -55.28 -34.11 63.81 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -72.73 -46.82 51.55 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.896 0.478 . . . . 0.0 110.99 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 65.0 p -71.4 -57.59 4.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.956 0.903 . . . . 0.0 112.289 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 88.7 p -92.83 162.13 14.23 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.886 1.274 . . . . 0.0 112.064 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 63.3 p -66.12 -48.38 71.05 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.479 1.111 . . . . 0.0 110.419 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -22.54 123.14 0.03 OUTLIER 'General case' 0 C--N 1.343 0.302 0 C-N-CA 129.293 3.037 . . . . 0.0 114.268 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 96.0 p -72.05 166.11 43.96 Favored Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 124.165 0.986 . . . . 0.0 109.962 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.16 -42.66 58.22 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.134 2.556 . . . . 0.0 110.807 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -58.65 -49.26 78.17 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.886 1.275 . . . . 0.0 110.567 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.525 ' O ' ' HG3' ' B' ' 47' ' ' MET . 82.1 m -60.17 -44.49 94.99 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 123.527 0.731 . . . . 0.0 110.784 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.91 -64.59 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-O 119.069 -0.491 . . . . 0.0 109.901 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLN . . . . . 0.471 ' CG ' HD11 ' B' ' 30' ' ' ILE . 85.6 mt-30 -45.03 -34.9 2.7 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.482 1.513 . . . . 0.0 114.733 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 92.1 m -77.51 -31.52 53.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.525 ' HG3' ' O ' ' B' ' 43' ' ' THR . 89.9 mtp -54.5 -51.35 65.39 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.606 HD12 ' CD2' ' B' ' 68' ' ' TYR . 1.0 OUTLIER -57.11 -50.92 71.29 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 124.951 1.301 . . . . 0.0 111.385 177.446 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.95 -45.38 71.28 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.987 0.915 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -68.59 -49.16 61.45 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.779 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.27 -49.68 17.07 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.139 0.976 . . . . 0.0 109.483 172.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.95 -44.27 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.758 0.823 . . . . 0.0 111.572 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -60.95 -38.39 85.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.598 0.759 . . . . 0.0 110.528 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -83.76 -17.39 41.31 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.768 1.227 . . . . 0.0 111.765 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.19 0.23 41.08 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 117.273 -1.848 . . . . 0.0 116.928 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.92 -51.56 68.74 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 121.198 2.499 . . . . 0.0 112.208 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mp -116.72 167.35 11.16 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.614 1.966 . . . . 0.0 112.211 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -140.53 128.03 21.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.378 1.071 . . . . 0.0 109.554 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.25 148.65 22.0 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 119.016 0.825 . . . . 0.0 112.743 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -146.19 119.11 8.72 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.466 1.106 . . . . 0.0 110.029 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -83.12 96.83 8.52 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.46 94.89 9.33 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.456 1.902 . . . . 0.0 112.914 -175.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.46 -89.45 0.01 OUTLIER Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.853 1.216 . . . . 0.0 112.839 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -64.28 -79.79 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.024 0.93 . . . . 0.0 109.905 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 32.8 m -133.93 173.6 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.949 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.521 ' C ' ' CD1' ' B' ' 66' ' ' PHE . 0.0 OUTLIER -81.31 154.09 26.72 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 118.617 2.821 . . . . 0.0 118.617 -172.52 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 1.7 m -125.58 139.32 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.757 0 C-N-CA 126.167 1.787 . . . . 0.0 110.147 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' TYR . . . . . 0.606 ' CD2' HD12 ' B' ' 48' ' ' LEU 0.264 4.9 m-85 -94.36 121.22 35.67 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 105.811 -1.922 . . . . 0.0 105.811 179.422 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 74.9 p -101.16 110.16 60.52 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 126.409 1.884 . . . . 0.0 108.904 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -58.04 109.66 0.52 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.538 2.825 . . . . 0.0 111.589 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -72.62 -12.83 61.2 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.553 0.741 . . . . 0.0 111.769 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.343 0.318 0 C-N-CA 126.2 1.8 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 N--CA 1.456 -0.734 0 N-CA-C 113.146 0.402 . . . . 0.0 113.146 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -78.52 81.19 4.87 Favored 'General case' 0 C--N 1.341 0.198 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 61.7 mt -80.65 144.28 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 124.08 0.952 . . . . 0.0 111.349 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 83.3 p -137.02 -166.6 1.94 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.595 2.358 . . . . 0.0 106.421 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.28 -47.06 86.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -45.22 88.65 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.502 1.121 . . . . 0.0 113.71 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' B' ' 15' ' ' MET . 15.3 tt0 -65.31 -51.88 57.7 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.479 0.581 . . . . 0.0 110.548 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -62.9 -38.49 91.14 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.06 0.944 . . . . 0.0 111.406 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -54.05 -35.94 62.53 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 118.976 0.807 . . . . 0.0 111.311 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.84 -58.75 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 4.7 mtt -46.1 -43.57 14.86 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.297 1.439 . . . . 0.0 111.52 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -48.7 -48.12 40.48 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.316 1.846 . . . . 0.0 110.857 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.0 t -69.93 -47.18 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 118.755 0.707 . . . . 0.0 110.285 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.6 mt -57.37 -43.02 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.834 1.254 . . . . 0.0 112.775 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -62.44 -25.17 67.82 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -68.91 -45.16 71.6 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -73.27 154.63 40.1 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.612 1.565 . . . . 0.0 109.279 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 45.7 t -60.45 -58.84 6.76 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 54.6 m -128.81 -154.8 0.66 Allowed 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 101.618 -3.475 . . . . 0.0 101.618 165.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.343 14.5 tt -150.87 134.23 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 122.73 2.514 . . . . 0.0 112.439 172.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -93.0 134.29 35.28 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 101.652 -3.462 . . . . 0.0 101.652 175.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.98 -31.03 0.46 Allowed 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -176.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -41.73 80.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 121.374 1.897 . . . . 0.0 111.728 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -71.48 -38.92 71.18 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 123.32 0.648 . . . . 0.0 111.293 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -55.11 20.29 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.552 HD11 ' CG ' ' B' ' 45' ' ' GLN . 25.3 mt -57.78 -58.38 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 124.027 0.931 . . . . 0.0 108.703 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -43.4 -48.92 7.16 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.9 0.75 . . . . 0.0 112.957 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -74.8 -60.04 2.46 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.5 -27.7 67.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 92.3 p -69.86 -31.78 69.8 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.179 0.899 . . . . 0.0 110.806 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -67.74 -47.17 70.02 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.302 1.041 . . . . 0.0 110.495 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -81.07 -61.17 2.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.181 1.393 . . . . 0.0 112.092 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 38.2 m -92.79 162.15 14.24 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 124.837 1.255 . . . . 0.0 111.182 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 41.8 p -62.05 -63.89 1.11 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.207 1.003 . . . . 0.0 110.165 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -2.49 111.45 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 130.213 3.405 . . . . 0.0 115.184 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 89.4 p -69.66 170.35 9.83 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 124.437 1.095 . . . . 0.0 110.241 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -52.48 -47.81 25.12 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.996 2.464 . . . . 0.0 111.031 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -53.17 -50.78 63.91 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.919 1.288 . . . . 0.0 110.129 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.47 ' O ' ' HG3' ' B' ' 47' ' ' MET . 93.1 m -59.88 -53.92 52.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.668 0.787 . . . . 0.0 111.001 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -54.42 -64.79 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.42 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLN . . . . . 0.552 ' CG ' HD11 ' B' ' 30' ' ' ILE . 20.4 mt-30 -46.64 -30.78 2.48 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.458 1.103 . . . . 0.0 113.875 -178.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 59.6 m -86.85 -25.49 24.49 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.651 1.18 . . . . 0.0 113.686 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.47 ' HG3' ' O ' ' B' ' 43' ' ' THR . 95.1 mtp -54.52 -48.2 72.22 Favored 'General case' 0 C--N 1.341 0.227 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 176.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -40.64 75.85 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 127.147 2.179 . . . . 0.0 112.995 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 tp -44.99 -46.26 11.05 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.969 1.307 . . . . 0.0 114.486 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -71.28 -39.81 71.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.603 0.638 . . . . 0.0 110.342 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.465 ' HG ' ' HB3' ' B' ' 56' ' ' ALA . 9.5 mp -56.24 -33.24 65.22 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.51 0.724 . . . . 0.0 109.212 174.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.504 HD13 ' CD2' ' B' ' 59' ' ' HIS . 68.3 mt -69.31 -46.98 75.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 121.315 -0.865 . . . . 0.0 110.343 175.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.79 -46.81 80.48 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -91.13 -17.61 25.85 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.825 0.85 . . . . 0.0 112.193 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.51 23.04 9.77 Favored Glycine 0 CA--C 1.531 1.089 0 N-CA-C 120.641 3.017 . . . . 0.0 120.641 172.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.465 ' HB3' ' HG ' ' B' ' 51' ' ' LEU . . . -71.54 -47.01 57.91 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 123.562 3.681 . . . . 0.0 109.553 175.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 mp -127.27 162.0 27.25 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.152 2.181 . . . . 0.0 108.926 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -141.29 149.67 41.55 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 124.148 0.979 . . . . 0.0 110.882 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' HIS . . . . . 0.504 ' CD2' HD13 ' B' ' 52' ' ' ILE . 0.2 OUTLIER -93.7 148.42 22.13 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 119.011 0.823 . . . . 0.0 112.095 179.234 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -142.57 115.06 8.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.992 1.317 . . . . 0.0 110.173 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -83.42 98.18 9.36 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.398 1.079 . . . . 0.0 110.694 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -86.75 138.3 31.73 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.958 2.103 . . . . 0.0 108.14 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -23.5 -48.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 C-N-CA 127.733 2.587 . . . . 0.0 114.883 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -66.36 -85.83 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 30.7 m -143.11 173.26 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.373 0 N-CA-C 102.712 -3.069 . . . . 0.0 102.712 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.94 153.71 27.38 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -174.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 m -123.11 139.5 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.157 0 C-N-CA 125.462 1.505 . . . . 0.0 109.475 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.25 18.8 m-85 -94.7 121.35 36.19 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 61.1 p -103.28 120.61 51.46 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 125.921 1.688 . . . . 0.0 112.198 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -62.98 113.41 2.0 Allowed 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 123.112 2.541 . . . . 0.0 110.724 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -77.97 -14.17 59.62 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.391 0.677 . . . . 0.0 111.348 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.395 0 C-N-CA 124.71 1.204 . . . . 0.0 109.671 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 110.191 -0.734 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -77.92 84.58 4.2 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.556 0.742 . . . . 0.0 109.28 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.7 mt -80.37 139.59 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.57 1.148 . . . . 0.0 111.214 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.7 p -129.55 -167.75 1.84 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 127.564 2.346 . . . . 0.0 106.699 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -62.46 -51.52 67.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.69 -39.43 68.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.511 1.124 . . . . 0.0 113.468 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.72 -45.88 64.11 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 118.299 0.5 . . . . 0.0 110.516 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.65 -41.96 99.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.963 0.505 . . . . 0.0 110.215 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.01 -47.07 68.59 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 123.608 0.763 . . . . 0.0 112.923 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -71.46 -47.09 60.65 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 118.614 0.643 . . . . 0.0 111.959 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mmt -46.78 -38.64 10.43 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.954 1.302 . . . . 0.0 112.743 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -59.95 -42.83 94.92 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.766 0.826 . . . . 0.0 111.85 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.41 -37.11 79.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.332 0 CA-C-N 118.853 0.752 . . . . 0.0 109.771 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ILE . . . . . 0.469 HG23 HG22 ' B' ' 24' ' ' ILE . 3.5 mt -67.54 -44.85 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.199 0.599 . . . . 0.0 109.451 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -70.92 -23.89 62.35 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.015 0.926 . . . . 0.0 111.76 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -65.7 -47.81 74.12 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -76.22 163.66 26.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.055 1.342 . . . . 0.0 107.988 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -61.5 -59.27 5.49 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -129.74 -154.74 0.65 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 102.449 -3.167 . . . . 0.0 102.449 164.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.469 HG22 HG23 ' B' ' 18' ' ' ILE 0.374 8.0 tt -150.99 152.07 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 122.207 2.276 . . . . 0.0 113.187 173.746 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -111.26 145.01 39.52 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 101.968 -3.345 . . . . 0.0 101.968 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -43.14 -32.98 0.8 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -45.32 89.82 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 121.166 1.803 . . . . 0.0 111.141 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -68.05 -39.04 83.12 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 119.278 -0.391 . . . . 0.0 110.06 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -58.05 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.1 mt -59.19 -52.56 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.705 0.802 . . . . 0.0 109.67 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -45.55 -41.94 10.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.563 0.745 . . . . 0.0 112.533 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.89 -57.64 3.55 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.093 0.957 . . . . 0.0 112.669 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.86 -54.68 41.58 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 126.319 1.848 . . . . 0.0 111.634 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.1 p -57.98 -31.05 66.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.387 0.675 . . . . 0.0 112.663 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -66.12 -49.28 68.04 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.951 0.9 . . . . 0.0 109.785 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -77.7 -61.6 1.94 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.274 1.43 . . . . 0.0 112.729 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 93.9 p -92.7 162.28 14.21 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.208 1.403 . . . . 0.0 112.113 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 87.4 m -59.26 -63.68 1.22 Allowed 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.423 1.089 . . . . 0.0 109.211 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -4.16 111.93 0.01 OUTLIER 'General case' 0 C--N 1.345 0.397 0 C-N-CA 129.564 3.146 . . . . 0.0 115.141 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 95.6 p -65.99 167.33 12.12 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 124.561 1.144 . . . . 0.0 110.312 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -50.14 -37.56 48.71 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 123.42 2.747 . . . . 0.0 112.038 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -66.63 -51.57 54.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.176 0.99 . . . . 0.0 110.54 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 62.0 m -56.6 -22.39 33.46 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.437 1.495 . . . . 0.0 112.196 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 71.1 mt -83.56 -49.92 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 123.995 0.918 . . . . 0.0 109.105 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -60.77 -33.48 73.03 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.116 1.366 . . . . 0.0 113.386 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 13.5 t -68.26 -41.25 81.35 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.417 ' O ' HD13 ' B' ' 51' ' ' LEU . 53.2 mtt -53.65 -59.46 4.58 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.405 HD13 ' CZ ' ' B' ' 68' ' ' TYR . 18.5 mt -52.41 -40.51 62.22 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 127.859 2.464 . . . . 0.0 111.084 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.41 -49.79 74.11 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.396 0.678 . . . . 0.0 110.578 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -70.93 -38.47 72.9 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.498 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.432 ' HB3' ' HB3' ' B' ' 56' ' ' ALA . 6.6 mp -52.74 -49.3 65.73 Favored 'General case' 0 N--CA 1.423 -1.786 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 173.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ILE . . . . . 0.454 HD13 ' CD2' ' B' ' 59' ' ' HIS . 92.3 mt -62.93 -38.7 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 118.546 0.612 . . . . 0.0 112.525 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -64.58 -46.47 82.58 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.501 0.591 . . . . 0.0 111.347 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -84.87 -12.77 52.78 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.403 1.081 . . . . 0.0 113.163 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.51 7.36 37.15 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 116.349 -2.362 . . . . 0.0 118.675 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' B' ' 51' ' ' LEU . . . -58.3 -55.09 39.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 122.445 3.123 . . . . 0.0 111.346 175.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.1 167.28 12.37 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.526 2.331 . . . . 0.0 112.163 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -140.89 127.33 19.95 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.541 1.136 . . . . 0.0 109.961 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' HIS . . . . . 0.454 ' CD2' HD13 ' B' ' 52' ' ' ILE . 0.4 OUTLIER -94.41 145.37 24.82 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.448 1.022 . . . . 0.0 113.377 179.198 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -146.64 133.29 19.89 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.865 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -82.94 98.92 9.47 Favored 'General case' 0 C--N 1.344 0.335 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -86.81 80.93 8.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.778 1.631 . . . . 0.0 111.997 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.16 -84.67 0.05 OUTLIER Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.447 1.022 . . . . 0.0 112.716 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -65.42 -78.39 0.05 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.779 0.832 . . . . 0.0 109.788 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.89 174.18 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 N-CA-C 104.112 -2.551 . . . . 0.0 104.112 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.66 154.13 27.52 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 118.605 2.817 . . . . 0.0 118.605 -172.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -119.81 134.88 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 CA-C-N 111.77 -2.468 . . . . 0.0 109.733 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' TYR . . . . . 0.405 ' CZ ' HD13 ' B' ' 48' ' ' LEU 0.314 33.2 m-85 -94.28 127.17 39.99 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 176.802 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 71.4 p -114.34 117.09 43.59 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 123.608 0.763 . . . . 0.0 112.089 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -62.21 105.43 0.4 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 124.28 3.32 . . . . 0.0 111.182 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -75.68 -10.39 59.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.534 0.734 . . . . 0.0 112.168 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.343 0.317 0 C-N-CA 125.564 1.546 . . . . 0.0 110.971 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 N--CA 1.456 -0.699 0 CA-C-O 120.819 0.258 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.89 104.15 2.85 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.176 0.99 . . . . 0.0 108.65 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 mm -121.4 151.69 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 125.248 1.419 . . . . 0.0 108.896 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -144.27 -178.06 5.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 126.907 2.083 . . . . 0.0 107.555 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.05 -45.13 93.65 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.2 96.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.375 1.07 . . . . 0.0 111.847 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -75.07 -26.75 59.58 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.053 0.541 . . . . 0.0 110.594 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.95 -36.9 84.62 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -56.72 -40.03 74.97 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.193 0.597 . . . . 0.0 111.225 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.5 m -76.71 -41.17 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 122.62 0.368 . . . . 0.0 110.665 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.432 ' HB3' ' CZ3' ' B' ' 19' ' ' TRP . 0.3 OUTLIER -58.02 -37.17 73.82 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.737 0.815 . . . . 0.0 110.368 177.426 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.6 -45.47 85.25 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.459 1.104 . . . . 0.0 110.001 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 t -62.32 -39.01 82.61 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 C-N-CA 123.755 0.822 . . . . 0.0 110.161 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.31 -49.63 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' TRP . . . . . 0.432 ' CZ3' ' HB3' ' B' ' 15' ' ' MET . 7.7 m0 -68.23 -24.32 64.9 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.837 -0.601 . . . . 0.0 112.445 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -65.3 -46.02 82.06 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -76.54 158.41 31.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.991 1.316 . . . . 0.0 109.052 177.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -59.34 -58.97 6.28 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 65.9 p -129.23 -154.77 0.66 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 164.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.341 8.9 tt -151.0 152.35 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 120.803 1.638 . . . . 0.0 110.555 172.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -107.24 143.78 34.98 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 101.374 -3.565 . . . . 0.0 101.374 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.549 HG23 ' CE2' ' B' ' 68' ' ' TYR . 0.2 OUTLIER -42.63 -34.24 0.85 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.764 2.826 . . . . 0.0 112.31 -178.223 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -56.48 6.77 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.763 1.62 . . . . 0.0 109.291 174.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -51.61 -33.52 33.31 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.482 0.713 . . . . 0.0 111.05 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -59.73 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.6 mt -59.02 -52.17 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 118.814 0.734 . . . . 0.0 110.829 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -46.29 -53.4 10.82 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.155 0.982 . . . . 0.0 113.183 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.43 -56.31 13.17 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.461 0.573 . . . . 0.0 112.28 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.404 HD23 HG23 ' B' ' 44' ' ' ILE . 7.3 mp -53.82 -40.99 66.86 Favored 'General case' 0 N--CA 1.432 -1.36 0 C-N-CA 126.948 2.099 . . . . 0.0 111.951 -178.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 96.9 p -69.28 -35.26 75.85 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.019 0.928 . . . . 0.0 112.522 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -72.42 -46.57 54.55 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.193 0.597 . . . . 0.0 110.624 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 51.4 p -70.83 -63.48 1.09 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.253 1.021 . . . . 0.0 111.864 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -92.9 162.73 13.96 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.222 1.409 . . . . 0.0 111.698 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 44.2 p -66.83 -106.66 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.992 1.317 . . . . 0.0 109.428 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 15.3 m0 56.45 -131.05 1.71 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.399 1.0 . . . . 0.0 111.181 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 27.8 t 177.02 156.01 0.44 Allowed Pre-proline 0 CA--C 1.534 0.364 0 C-N-CA 126.739 2.016 . . . . 0.0 106.9 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -49.08 -36.49 35.82 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.08 2.52 . . . . 0.0 112.491 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -77.29 -36.47 54.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.409 1.083 . . . . 0.0 111.396 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 42.3 m -64.32 -49.31 72.24 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 123.145 0.578 . . . . 0.0 110.645 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.404 HG23 HD23 ' B' ' 33' ' ' LEU . 30.6 mt -45.94 -38.86 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 125.337 1.455 . . . . 0.0 112.308 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -52.79 -37.41 59.68 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.253 1.021 . . . . 0.0 113.511 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -68.69 -42.63 77.52 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.612 1.096 . . . . 0.0 112.066 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 56.7 mtt -57.73 -46.5 84.35 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.96 -36.92 80.67 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.428 0.691 . . . . 0.0 109.346 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' B' ' 53' ' ' LYS . 0.9 OUTLIER -73.91 -29.5 62.08 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.911 0.778 . . . . 0.0 112.942 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -59.8 -43.75 94.31 Favored 'General case' 0 C--N 1.342 0.281 0 CA-C-N 120.372 1.442 . . . . 0.0 107.991 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' B' ' 56' ' ' ALA . 3.4 mp -66.03 -65.51 0.67 Allowed 'General case' 0 N--CA 1.427 -1.587 0 C-N-CA 128.952 2.901 . . . . 0.0 110.614 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.78 -19.96 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 126.796 2.038 . . . . 0.0 112.912 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' B' ' 49' ' ' LEU . 26.9 ttpp -55.0 -39.3 68.91 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -105.4 -2.81 23.37 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.083 1.353 . . . . 0.0 111.25 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.54 32.06 8.42 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-O 117.484 -1.731 . . . . 0.0 113.245 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.574 ' HB3' ' HB3' ' B' ' 51' ' ' LEU . . . -48.36 -43.4 33.52 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.326 1.563 . . . . 0.0 114.374 -172.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.75 153.02 24.06 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -90.01 129.46 36.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -94.19 129.17 40.9 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.434 1.494 . . . . 0.0 109.123 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -146.2 110.97 5.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 123.449 0.468 . . . . 0.0 110.191 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.44 ' HA ' ' CB ' ' B' ' 66' ' ' PHE . 42.6 pttt -80.04 93.03 5.68 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 124.124 1.916 . . . . 0.0 106.955 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -99.24 137.38 37.83 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 110.942 -2.845 . . . . 0.0 110.855 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 15.21 -77.22 0.0 OUTLIER Glycine 0 C--N 1.344 1.011 0 C-N-CA 129.18 3.276 . . . . 0.0 115.396 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -69.78 -82.19 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.478 0.711 . . . . 0.0 111.262 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -135.38 168.59 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.44 ' CB ' ' HA ' ' B' ' 61' ' ' LYS . 0.0 OUTLIER -81.6 145.1 30.8 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 120.494 1.497 . . . . 0.0 113.889 -172.124 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.49 139.46 24.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 127.693 2.397 . . . . 0.0 111.982 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' TYR . . . . . 0.549 ' CE2' HG23 ' B' ' 26' ' ' THR . 30.8 m-85 -97.11 131.09 44.22 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 176.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 72.7 p -131.56 125.19 20.48 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 123.526 0.73 . . . . 0.0 109.625 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -48.63 96.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 124.734 3.622 . . . . 0.0 114.382 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -73.96 -17.83 60.96 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.67 0.788 . . . . 0.0 110.171 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ILE . . . . . 0.405 ' H ' ' CD1' ' B' ' 72' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.344 0.346 0 C-N-CA 126.43 1.892 . . . . 0.0 110.127 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo . . . . . 0 N--CA 1.458 -0.594 0 N-CA-C 112.873 0.297 . . . . 0.0 112.873 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -81.75 93.38 6.8 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.943 0.897 . . . . 0.0 109.095 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mm -80.86 141.64 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.783 1.233 . . . . 0.0 108.742 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -123.72 176.04 6.5 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.393 1.877 . . . . 0.0 107.39 177.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.24 -48.59 80.79 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.26 74.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.861 0.864 . . . . 0.0 111.227 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -67.69 -60.19 2.74 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -49.95 -38.68 37.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.06 1.344 . . . . 0.0 112.102 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -62.01 -47.83 83.0 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.873 0.76 . . . . 0.0 110.794 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 51.4 t -67.88 -57.09 10.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 C-N-CA 124.145 0.978 . . . . 0.0 109.387 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.446 ' HB3' ' CZ3' ' B' ' 19' ' ' TRP . 79.7 mmm -48.05 -42.62 28.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.562 1.545 . . . . 0.0 111.685 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -62.82 -43.33 99.09 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 125.635 1.574 . . . . 0.0 109.915 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 t -65.03 -36.76 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.181 0.593 . . . . 0.0 109.435 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -69.36 -42.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' TRP . . . . . 0.446 ' CZ3' ' HB3' ' B' ' 15' ' ' MET . 8.0 m0 -66.28 -24.61 66.59 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 126.668 1.987 . . . . 0.0 111.134 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -69.63 -47.46 63.34 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.91 164.25 26.93 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.98 1.312 . . . . 0.0 107.715 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.3 p -64.94 -60.41 3.09 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 105.556 -2.016 . . . . 0.0 105.556 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 72.3 m -130.87 -155.58 0.7 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 103.375 -2.824 . . . . 0.0 103.375 160.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.29 9.2 tt -151.53 151.54 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 121.527 1.967 . . . . 0.0 112.567 174.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -99.2 178.32 4.94 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 104.413 -2.44 . . . . 0.0 104.413 172.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.1 m -63.66 -56.04 18.79 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' B' ' 31' ' ' LYS . 2.9 m120 -69.26 -16.69 63.64 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 117.295 -1.762 . . . . 0.0 114.34 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -72.66 -43.4 63.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.66 -54.24 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-O 118.902 -0.571 . . . . 0.0 109.742 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.4 mt -54.17 -54.71 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 118.579 0.627 . . . . 0.0 109.948 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 17.1 tppt? -50.46 -49.09 56.11 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.31 -56.22 8.16 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -41.28 63.27 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.051 0.94 . . . . 0.0 111.678 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 66.6 m -61.68 -29.33 70.02 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -73.58 -48.94 28.92 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.401 0.546 . . . . 0.0 110.208 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 47.3 p -70.98 -64.61 0.87 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.348 1.059 . . . . 0.0 111.288 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m -92.87 162.33 14.14 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.425 1.49 . . . . 0.0 111.418 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 80.5 m -58.45 -68.12 0.29 Allowed 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.274 1.029 . . . . 0.0 109.842 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -2.59 113.57 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 129.342 3.057 . . . . 0.0 116.579 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 60.2 p -76.93 176.46 3.43 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 124.481 1.112 . . . . 0.0 109.221 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -52.43 -42.53 60.52 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 123.038 2.492 . . . . 0.0 112.964 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -63.21 -53.43 53.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.839 0.856 . . . . 0.0 109.508 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 8.0 m -50.36 -36.02 30.59 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.478 1.911 . . . . 0.0 114.109 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -77.67 -44.57 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 124.354 1.062 . . . . 0.0 112.371 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -50.19 -26.04 4.21 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.464 HG23 ' N ' ' B' ' 47' ' ' MET . 12.4 t -68.73 -46.35 69.14 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 119.757 1.162 . . . . 0.0 111.913 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.464 ' N ' HG23 ' B' ' 46' ' ' THR . 64.9 mtm -53.58 -59.63 4.35 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LEU . . . . . 0.441 HD22 ' CE2' ' B' ' 68' ' ' TYR . 42.0 mt -46.54 -58.21 4.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.778 1.231 . . . . 0.0 110.891 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -53.68 -40.38 65.9 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.293 1.437 . . . . 0.0 112.353 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -77.47 -40.22 43.89 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.321 1.048 . . . . 0.0 110.065 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.86 -33.28 74.93 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 123.542 0.737 . . . . 0.0 109.823 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.42 -38.16 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.091 0.956 . . . . 0.0 110.143 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -75.7 -46.34 31.78 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.892 0.877 . . . . 0.0 111.36 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -77.78 -17.64 57.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.491 1.117 . . . . 0.0 112.195 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.11 14.96 55.35 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 116.786 -2.119 . . . . 0.0 117.503 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.81 -34.08 64.44 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 121.874 2.837 . . . . 0.0 110.424 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' B' ' 70' ' ' PRO . 84.5 mt -131.58 164.28 26.2 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.431 1.493 . . . . 0.0 108.992 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -141.51 136.67 31.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.395 1.078 . . . . 0.0 111.015 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 143.25 26.53 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-N 118.915 0.78 . . . . 0.0 112.087 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -146.36 133.75 20.74 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 123.519 0.727 . . . . 0.0 110.502 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -83.16 119.77 24.95 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.853 0.861 . . . . 0.0 109.721 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -127.18 78.69 1.83 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.415 1.486 . . . . 0.0 109.486 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 40.24 -85.8 0.01 OUTLIER Glycine 0 CA--C 1.531 1.078 0 C-N-CA 126.736 2.112 . . . . 0.0 115.388 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -51.92 -53.7 37.95 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.153 1.781 . . . . 0.0 113.341 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -152.88 149.62 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 N-CA-C 104.25 -2.5 . . . . 0.0 104.25 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' B' ' 66' ' ' PHE . 0.1 OUTLIER -81.28 152.71 27.46 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 173.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 87.1 t -125.78 138.36 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.37 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.961 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' TYR . . . . . 0.441 ' CE2' HD22 ' B' ' 48' ' ' LEU 0.265 33.9 m-85 -93.31 120.59 33.77 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 101.768 -3.419 . . . . 0.0 101.768 175.11 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 80.4 p -112.61 135.67 21.53 Favored Pre-proline 0 N--CA 1.451 -0.392 0 C-N-CA 124.927 1.291 . . . . 0.0 108.624 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PRO . . . . . 0.526 ' HA ' HD23 ' B' ' 57' ' ' LEU . 72.0 Cg_endo -73.73 116.8 4.8 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 122.419 2.079 . . . . 0.0 111.331 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -62.23 -29.57 70.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.886 1.674 . . . . 0.0 111.271 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 pt . . . . . 0 N--CA 1.45 -0.443 0 C-N-CA 126.1 1.76 . . . . 0.0 108.652 -177.545 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo . . . . . 0 N--CA 1.458 -0.568 0 CA-C-O 119.922 -0.116 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -78.43 81.43 4.77 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 59.0 mt -80.78 144.83 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 124.538 1.135 . . . . 0.0 111.84 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 84.1 p -135.0 -169.28 2.33 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 127.866 2.466 . . . . 0.0 106.686 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -61.23 -47.95 83.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.93 94.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.169 0.987 . . . . 0.0 113.399 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' B' ' 15' ' ' MET . 13.6 tt0 -64.49 -52.39 58.14 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.567 0.622 . . . . 0.0 110.513 -178.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -41.25 97.68 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.594 1.158 . . . . 0.0 111.829 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -52.7 -36.07 56.64 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 118.51 0.595 . . . . 0.0 111.831 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.93 -58.47 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.876 0.87 . . . . 0.0 109.015 177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 24.4 mtp -45.99 -44.9 15.41 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 125.548 1.539 . . . . 0.0 111.226 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -47.89 -49.98 28.05 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.885 1.674 . . . . 0.0 110.825 177.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 t -68.39 -48.17 74.15 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 CA-C-N 118.784 0.72 . . . . 0.0 110.481 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mt -57.0 -40.09 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 124.394 1.078 . . . . 0.0 112.017 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -65.78 -23.56 66.74 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.95 -46.94 64.19 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' HIS . . . . . 0.636 ' ND1' ' O ' ' B' ' 23' ' ' SER . 25.5 t-80 -70.89 153.44 42.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.159 1.783 . . . . 0.0 109.363 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -59.68 -58.88 6.67 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' SER . . . . . 0.636 ' O ' ' ND1' ' B' ' 21' ' ' HIS . 33.9 m -128.8 -155.08 0.68 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 101.135 -3.654 . . . . 0.0 101.135 164.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.321 13.2 tt -150.91 137.95 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 121.911 2.141 . . . . 0.0 112.221 172.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -96.25 134.45 39.35 Favored 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 100.738 -3.801 . . . . 0.0 100.738 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.02 -32.89 0.72 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.902 2.081 . . . . 0.0 113.458 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -41.69 87.04 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 120.044 1.293 . . . . 0.0 110.933 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -71.74 -36.5 70.46 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.414 0.685 . . . . 0.0 111.498 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -55.04 19.0 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.519 HD11 ' HG3' ' B' ' 45' ' ' GLN . 26.5 mt -59.61 -52.62 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 124.19 0.996 . . . . 0.0 109.178 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -46.52 -41.81 14.75 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 123.543 0.527 . . . . 0.0 112.233 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -82.87 -61.64 1.82 Allowed 'General case' 0 C--N 1.343 0.318 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.16 -38.22 85.68 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -176.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 6.9 t -66.25 -27.74 68.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.362 0.983 . . . . 0.0 112.924 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -78.71 -46.84 18.11 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.077 0.551 . . . . 0.0 110.468 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.1 p -71.92 -56.62 5.36 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.223 1.009 . . . . 0.0 111.392 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 40.5 m -92.69 162.1 14.29 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.722 1.209 . . . . 0.0 110.18 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -60.66 -58.22 9.38 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.096 0.958 . . . . 0.0 110.691 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -11.02 118.98 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 130.126 3.37 . . . . 0.0 115.973 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 40.2 t -67.63 158.47 82.67 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 125.412 1.485 . . . . 0.0 109.214 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -49.36 -42.15 41.52 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.833 2.356 . . . . 0.0 112.247 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -65.96 -40.29 91.16 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.741 0.816 . . . . 0.0 111.518 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.56 ' O ' ' HG3' ' B' ' 47' ' ' MET . 39.2 m -59.71 -46.62 88.54 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.112 0.565 . . . . 0.0 109.778 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.76 -63.19 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.511 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLN . . . . . 0.519 ' HG3' HD11 ' B' ' 30' ' ' ILE . 87.2 mt-30 -42.42 -34.74 0.87 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.414 1.486 . . . . 0.0 114.729 -178.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 96.4 m -84.0 -27.49 28.38 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.809 0.843 . . . . 0.0 113.243 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.56 ' HG3' ' O ' ' B' ' 43' ' ' THR . 94.0 mtp -53.01 -48.23 67.69 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.84 -44.79 86.71 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 126.347 1.859 . . . . 0.0 112.331 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 20.4 tp -43.47 -52.83 5.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.189 1.396 . . . . 0.0 114.41 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -69.59 -40.16 76.86 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.27 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' B' ' 56' ' ' ALA . 11.0 mp -54.82 -34.06 62.34 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 119.644 1.111 . . . . 0.0 109.932 173.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.05 -29.32 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 123.54 0.736 . . . . 0.0 111.247 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -79.3 -46.5 17.6 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.242 1.017 . . . . 0.0 111.275 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -86.33 -17.53 34.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.468 1.507 . . . . 0.0 112.726 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.17 11.29 30.01 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 120.233 2.853 . . . . 0.0 120.233 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ALA . . . . . 0.401 ' HB3' ' HG ' ' B' ' 51' ' ' LEU . . . -68.5 -51.17 46.08 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 123.598 3.699 . . . . 0.0 109.907 176.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.54 166.29 12.27 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.116 1.766 . . . . 0.0 110.999 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -141.05 134.5 29.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.172 1.389 . . . . 0.0 109.531 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.4 149.39 21.28 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 119.578 1.081 . . . . 0.0 112.626 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -146.2 121.34 10.14 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.04 0.936 . . . . 0.0 110.563 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -82.92 94.97 7.83 Favored 'General case' 0 C--N 1.343 0.304 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -93.26 95.82 9.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.741 1.616 . . . . 0.0 112.494 -176.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.73 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.528 0.887 0 C-N-CA 125.409 1.481 . . . . 0.0 114.105 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -80.51 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.469 1.108 . . . . 0.0 109.486 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.05 173.46 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.017 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' B' ' 66' ' ' PHE . 0.0 OUTLIER -81.3 153.89 26.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 -173.363 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 m -125.87 139.69 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.764 0 C-N-CA 126.607 1.963 . . . . 0.0 110.328 173.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' TYR . . . . . 0.485 ' CG ' ' HZ ' ' B' ' 66' ' ' PHE 0.27 8.5 m-85 -94.15 121.26 35.46 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 178.808 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 73.2 p -100.53 113.56 65.56 Favored Pre-proline 0 N--CA 1.452 -0.361 0 C-N-CA 126.614 1.966 . . . . 0.0 109.759 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -57.33 106.44 0.23 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.484 2.789 . . . . 0.0 110.748 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -71.87 -9.34 58.18 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.735 0.814 . . . . 0.0 112.213 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.344 0.345 0 C-N-CA 125.188 1.395 . . . . 0.0 110.061 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.138 0 O4'-C1'-N19 110.722 3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.019 0 P-O3'-C3' 123.401 3.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 0 P-O3'-C3' 124.081 3.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.081 0 P-O3'-C3' 124.343 3.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.442 1 O4'-C1'-N19 113.702 7.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' DA' . . . . . 0.649 " H3'" ' HB3' ' B' ' 66' ' ' PHE . . . . . . . . 0 C5'--C4' 1.531 2.517 3 O4'-C1'-N19 114.113 7.891 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' DT' . . . . . 0.868 ' C7 ' HG21 ' B' ' 26' ' ' THR . . . . . . . . 0 C5'--C4' 1.535 2.954 2 P-O3'-C3' 126.331 5.526 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.634 1 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.295 2 P-O3'-C3' 125.992 5.243 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 O4'-C4'-C3' 109.283 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.779 4.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.084 1 O4'-C1'-N19 113.38 6.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.697 " C2'" ' H71' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.055 1 O4'-C1'-N19 112.365 5.706 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.716 ' H72' ' HB2' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.543 2 O4'-C4'-C3' 109.981 4.381 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . 0.92 ' C8 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.54 3.651 1 C4'-C3'-C2' 98.492 -4.708 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 0.841 ' H73' ' HB ' ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.533 2.81 1 O4'-C1'-N19 115.342 9.428 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 2 O4'-C1'-N19 112.28 5.6 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.725 3 P-O3'-C3' 125.096 4.496 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.395 2 O4'-C1'-N19 112.988 6.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 2 C5'-C4'-C3' 108.12 -4.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 1 O4'-C1'-N19 113.033 6.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 0 P-O3'-C3' 123.841 3.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 2 O4'-C1'-N19 112.142 5.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.74 2 O4'-C1'-N19 111.802 5.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tmm? . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -122.59 175.64 6.37 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.988 1.315 . . . . 0.0 110.159 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -84.15 129.41 34.9 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.42 1.088 . . . . 0.0 109.836 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.69 -62.41 0.42 Allowed Pre-proline 0 CA--C 1.537 0.48 0 CA-C-O 118.078 -0.963 . . . . 0.0 109.152 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.509 ' HB3' ' HB2' ' B' ' 56' ' ' ALA . 68.3 Cg_endo -80.3 146.81 17.84 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.563 2.175 . . . . 0.0 110.782 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.561 ' O ' H5'' ' C' ' 13' ' ' ' DA' . 5.9 mp0 -84.19 109.36 17.68 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 35.6 mm -81.06 152.16 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.639 1.176 . . . . 0.0 111.41 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t -149.33 -174.62 4.71 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.542 2.337 . . . . 0.0 107.375 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.73 -61.19 2.8 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.316 0.646 . . . . 0.0 110.04 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -31.1 72.05 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.539 0.736 . . . . 0.0 112.599 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.689 ' O ' ' HG3' ' B' ' 15' ' ' MET . 0.0 OUTLIER -62.65 -52.76 62.07 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.414 0.685 . . . . 0.0 110.45 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.51 -45.99 84.89 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.226 1.01 . . . . 0.0 112.147 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -48.15 -47.33 34.94 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 m -69.38 -40.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-N 118.562 0.619 . . . . 0.0 111.481 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.689 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 27.0 mtp -51.64 -45.58 63.39 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.475 1.11 . . . . 0.0 110.499 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -51.31 -48.58 62.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 126.221 1.808 . . . . 0.0 111.168 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 t -65.94 -38.48 82.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.279 0 C-N-CA 123.284 0.634 . . . . 0.0 110.523 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.53 -44.14 90.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -68.95 -27.14 65.47 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.632 1.173 . . . . 0.0 111.705 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.35 -47.36 82.46 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -79.36 167.74 20.46 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.448 1.499 . . . . 0.0 107.999 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 43.6 p -63.71 -59.49 4.52 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 69.6 m -129.84 -154.55 0.64 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 102.475 -3.157 . . . . 0.0 102.475 163.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.356 10.3 tt -150.84 151.95 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 122.178 2.263 . . . . 0.0 113.371 174.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -110.98 148.27 32.89 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.868 HG21 ' C7 ' ' A' ' 7' ' ' ' DT' . 0.7 OUTLIER -43.13 -36.29 1.63 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -177.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -45.33 86.39 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 120.996 1.726 . . . . 0.0 111.086 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.92 -39.37 87.36 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -59.43 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.404 HG12 HG21 ' B' ' 44' ' ' ILE . 37.8 mt -60.35 -49.93 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.445 0.698 . . . . 0.0 110.461 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -48.98 -38.75 24.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 123.551 0.532 . . . . 0.0 112.339 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.26 -56.66 3.78 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.439 0.696 . . . . 0.0 112.371 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.01 -39.89 66.53 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 126.479 1.911 . . . . 0.0 112.044 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 95.4 p -67.53 -39.72 85.04 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.944 0.898 . . . . 0.0 112.511 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -70.99 -45.17 64.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.345 0.658 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.2 p -72.02 -65.29 0.79 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.869 0.867 . . . . 0.0 111.471 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 56.5 m -96.32 162.3 13.56 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.93 1.292 . . . . 0.0 111.769 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 35.6 p -54.72 -68.1 0.21 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.742 1.217 . . . . 0.0 110.286 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -3.6 115.79 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 129.871 3.268 . . . . 0.0 116.512 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 76.9 p -77.61 173.21 7.94 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 124.526 1.13 . . . . 0.0 109.411 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -51.72 -32.34 45.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.479 2.786 . . . . 0.0 113.278 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.08 -57.29 4.67 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.704 0.801 . . . . 0.0 108.895 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.557 ' C ' ' H72' ' C' ' 16' ' ' ' DT' . 11.9 m -51.07 -40.71 58.98 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 127.431 2.292 . . . . 0.0 113.076 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.404 HG21 HG12 ' B' ' 30' ' ' ILE . 22.7 mt -57.38 -49.35 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 125.404 1.482 . . . . 0.0 113.141 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -56.25 -30.94 63.07 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 118.411 2.745 . . . . 0.0 118.411 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.92 HG21 ' C8 ' ' C' ' 15' ' ' ' DG' . 11.1 t -61.92 -43.62 98.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 120.828 1.649 . . . . 0.0 111.235 178.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.556 ' O ' HD22 ' B' ' 51' ' ' LEU . 4.1 mpp? -58.98 -25.59 63.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.93 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -87.65 -60.5 1.96 Allowed 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.339 1.056 . . . . 0.0 111.503 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.12 -54.21 46.11 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 126.26 1.824 . . . . 0.0 114.223 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.716 ' HB2' ' H72' ' C' ' 14' ' ' ' DT' . 18.3 mmt180 -66.47 -43.67 84.84 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 118.09 0.405 . . . . 0.0 111.635 -176.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.556 HD22 ' O ' ' B' ' 47' ' ' MET . 5.9 mp -51.15 -52.94 39.14 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 124.903 1.281 . . . . 0.0 107.986 173.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -59.89 -42.83 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 118.153 0.433 . . . . 0.0 111.666 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.52 -37.57 81.56 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.627 0.771 . . . . 0.0 110.916 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -94.0 -9.41 36.96 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.899 1.28 . . . . 0.0 113.623 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.15 0.64 41.35 Favored Glycine 0 CA--C 1.533 1.216 0 CA-C-O 117.155 -1.914 . . . . 0.0 117.592 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.509 ' HB2' ' HB3' ' B' ' 5' ' ' PRO . . . -59.07 -51.25 70.86 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 121.44 2.62 . . . . 0.0 112.829 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 mp -122.45 166.98 13.9 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.96 2.504 . . . . 0.0 109.953 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -140.61 128.4 21.76 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.523 0.729 . . . . 0.0 111.153 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.53 150.01 20.78 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 119.01 0.823 . . . . 0.0 111.715 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -146.12 126.43 13.95 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 123.998 0.919 . . . . 0.0 110.112 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -83.57 93.13 7.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -86.97 138.03 31.86 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 126.753 2.021 . . . . 0.0 110.259 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -4.45 -68.7 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 C-N-CA 128.92 3.152 . . . . 0.0 115.928 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -72.41 -79.39 0.08 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.456 0.628 . . . . 0.0 110.258 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.615 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 34.0 m -133.4 173.69 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 N-CA-C 105.535 -2.024 . . . . 0.0 105.535 177.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.649 ' HB3' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -80.36 153.23 28.48 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -173.393 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.18 132.86 70.12 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.543 0 CA-C-N 112.112 -2.313 . . . . 0.0 109.9 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -95.0 120.98 36.13 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 103.46 -2.793 . . . . 0.0 103.46 174.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 73.2 p -112.9 128.57 25.44 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 125.384 1.473 . . . . 0.0 111.039 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -57.02 113.31 1.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.797 2.998 . . . . 0.0 111.395 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -76.38 -9.29 58.54 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.126 0.971 . . . . 0.0 111.465 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.572 ' H ' HD12 ' B' ' 72' ' ' ILE . 0.1 OUTLIER -111.95 150.55 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 127.479 2.311 . . . . 0.0 107.471 177.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -150.56 -52.4 0.14 Allowed 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.928 0.891 . . . . 0.0 110.715 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -64.89 -50.07 68.01 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.151 0.98 . . . . 0.0 110.284 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 29.4 p -69.08 -75.6 0.11 Allowed 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.792 1.237 . . . . 0.0 111.057 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 48.89 55.58 9.01 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.157 1.383 . . . . 0.0 109.491 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 10.0 t80 65.92 105.9 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 127.143 2.177 . . . . 0.0 111.854 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 47.4 mt -96.54 94.99 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -80.18 99.65 7.89 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.29 148.56 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.896 0.878 . . . . 0.0 110.705 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -76.8 165.06 25.23 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.896 0.879 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 62.9 m . . . . . 0 C--O 1.251 1.137 0 CA-C-O 117.334 -1.317 . . . . 0.0 110.064 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C4'-C3' 108.806 3.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 0 P-O3'-C3' 124.194 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.959 0 P-O3'-C3' 124.19 3.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 1 O4'-C1'-N19 111.191 4.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ' DT' . . . . . 0.449 " H3'" ' OD1' ' B' ' 27' ' ' ASN . . . . . . . . 0 C5'--C4' 1.54 3.604 2 O5'-C5'-C4' 116.301 4.358 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ' DA' . . . . . 0.788 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.532 2.634 3 P-O3'-C3' 126.311 5.509 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 3 P-O3'-C3' 127.052 6.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.227 3 O4'-C1'-N19 114.752 8.69 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.082 1 P-O3'-C3' 125.208 4.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.106 0 P-O3'-C3' 124.198 3.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.635 1 P-O3'-C3' 125.033 4.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.594 1 O4'-C1'-N19 118.239 13.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.603 H2'' ' H71' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C1'-N19 110.826 3.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.603 ' H71' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.039 2 P-O3'-C3' 125.166 4.555 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . 0.866 ' N7 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.543 3.944 2 O4'-C1'-N19 111.702 4.878 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 1.006 ' H73' ' CA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.533 2.806 2 O4'-C1'-N19 116.099 10.374 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.104 1 O4'-C1'-N19 111.093 4.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.114 2 O4'-C1'-N19 112.99 6.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.364 2 O4'-C1'-N19 112.704 6.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.261 1 P-O3'-C3' 126.324 5.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 1 P-O3'-C3' 125.184 4.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 2 O4'-C1'-N19 112.917 6.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.868 1 O4'-C1'-N19 112.358 5.698 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.949 3.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.916 -0.088 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 57.2 57.73 4.34 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 125.171 1.388 . . . . 0.0 110.324 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -73.63 104.9 4.73 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.869 0.868 . . . . 0.0 109.217 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 41.3 pt -73.48 163.3 69.42 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 124.037 0.935 . . . . 0.0 110.239 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -59.79 141.94 97.73 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.268 2.646 . . . . 0.0 111.083 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -78.12 76.57 4.63 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -81.12 136.56 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.704 0.802 . . . . 0.0 109.944 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 30.7 t -132.76 -134.75 0.18 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -82.54 -56.64 3.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.62 -44.0 36.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.628 1.571 . . . . 0.0 114.741 -177.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -72.99 -47.55 44.2 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.65 -35.26 72.25 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.829 0.852 . . . . 0.0 111.419 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -55.8 -46.95 77.9 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.219 0.918 . . . . 0.0 109.516 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.76 -60.25 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 124.117 0.967 . . . . 0.0 110.212 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.9 mmt -51.4 -39.74 57.83 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.958 1.303 . . . . 0.0 112.625 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.62 -53.35 55.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.227 1.411 . . . . 0.0 109.828 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.02 -47.93 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 124.234 1.014 . . . . 0.0 110.091 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.32 -42.15 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 123.361 0.664 . . . . 0.0 111.044 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -67.15 -19.98 65.68 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -68.83 -48.23 64.05 Favored 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' B' ' 23' ' ' SER . 2.1 t-80 -72.76 152.43 41.61 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.033 1.733 . . . . 0.0 108.992 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -57.47 -58.27 9.0 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.46 ' O ' ' CG ' ' B' ' 21' ' ' HIS . 28.6 p -128.35 -154.5 0.64 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 101.647 -3.464 . . . . 0.0 101.647 166.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.336 14.7 tt -150.52 141.5 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 122.852 2.569 . . . . 0.0 112.573 172.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -102.7 127.85 49.65 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 100.634 -3.839 . . . . 0.0 100.634 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -42.26 -29.35 0.25 Allowed 'General case' 0 C--O 1.227 -0.085 0 C-N-CA 127.755 2.422 . . . . 0.0 114.708 -173.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.449 ' OD1' " H3'" ' A' ' 5' ' ' ' DT' . 9.1 p-10 -61.55 -38.56 87.92 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 118.683 -1.207 . . . . 0.0 111.816 177.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -73.21 -37.83 66.31 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.534 0.733 . . . . 0.0 110.923 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -56.17 17.31 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -60.46 -52.8 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 123.769 0.828 . . . . 0.0 109.857 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 60.0 tptt -49.79 -36.96 28.06 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -84.78 -58.61 2.64 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 118.957 0.799 . . . . 0.0 112.457 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.34 -35.24 73.48 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 61.6 m -65.41 -32.41 74.02 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 119.301 0.955 . . . . 0.0 112.583 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -78.22 -44.31 25.99 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.882 0.873 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 61.6 p -74.83 -58.29 3.38 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.645 0.778 . . . . 0.0 111.247 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 46.5 m -92.72 162.05 14.3 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.537 1.135 . . . . 0.0 110.46 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.7 p -59.38 -56.29 23.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.052 0.941 . . . . 0.0 110.364 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -15.92 119.86 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 129.703 3.201 . . . . 0.0 116.05 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -76.43 175.43 4.35 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 125.252 1.421 . . . . 0.0 108.961 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -52.62 -45.11 42.46 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.913 2.409 . . . . 0.0 112.99 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.583 ' O ' ' H71' ' C' ' 16' ' ' ' DT' . 53.9 mtmt -62.55 -52.84 61.86 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.701 0.8 . . . . 0.0 110.458 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' THR . . . . . 1.006 ' CA ' ' H73' ' C' ' 16' ' ' ' DT' . 10.6 m -47.45 -29.85 2.99 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.88 2.072 . . . . 0.0 114.226 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 75.6 mt -83.05 -47.02 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 124.297 1.039 . . . . 0.0 111.683 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -43.81 -35.89 2.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.974 1.709 . . . . 0.0 114.689 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.866 HG21 ' N7 ' ' C' ' 15' ' ' ' DG' . 12.5 t -59.74 -42.7 93.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 118.673 0.67 . . . . 0.0 112.171 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 34.0 mtt -54.46 -55.03 33.07 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.096 -177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.463 ' H ' ' CD2' ' B' ' 48' ' ' LEU . 0.7 OUTLIER -56.2 -57.28 12.86 Favored 'General case' 0 N--CA 1.435 -1.208 0 C-N-CA 123.32 0.648 . . . . 0.0 111.525 178.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -52.51 -51.59 58.77 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.438 1.095 . . . . 0.0 112.58 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.6 ' HB2' ' H72' ' C' ' 14' ' ' ' DT' . 17.2 mmt180 -68.39 -48.39 64.83 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 118.562 -0.733 . . . . 0.0 111.211 -178.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 mp -50.08 -41.21 47.65 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 119.108 0.867 . . . . 0.0 109.0 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 64.8 mt -69.42 -35.78 68.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 118.925 0.784 . . . . 0.0 111.57 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -67.49 -46.48 72.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.935 0.894 . . . . 0.0 111.316 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -83.19 -17.71 41.88 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.742 0.817 . . . . 0.0 111.893 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.17 5.41 40.55 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-O 116.701 -2.166 . . . . 0.0 117.836 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.09 95.25 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 122.104 2.952 . . . . 0.0 111.025 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.41 166.89 12.11 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.576 1.95 . . . . 0.0 111.27 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -141.27 131.67 25.2 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.46 1.104 . . . . 0.0 109.834 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.34 148.06 22.38 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.98 1.263 . . . . 0.0 111.518 177.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -146.55 129.3 16.19 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 124.714 1.206 . . . . 0.0 110.956 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -83.78 108.88 17.09 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 123.525 0.73 . . . . 0.0 109.707 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -98.05 137.76 36.37 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 127.292 2.237 . . . . 0.0 107.694 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -14.59 -59.77 0.01 OUTLIER Glycine 0 C--N 1.344 0.979 0 C-N-CA 128.464 2.935 . . . . 0.0 115.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -68.72 -83.77 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.788 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 24.3 m -136.33 172.65 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 125.177 1.391 . . . . 0.0 107.3 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.657 ' HB3' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -81.59 150.88 27.93 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -173.81 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -122.88 139.48 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.317 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.808 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' B' ' 48' ' ' LEU . 68.9 m-85 -95.46 120.92 36.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 112.68 -2.055 . . . . 0.0 105.639 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 44.6 p -109.21 123.79 35.83 Favored Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 125.582 1.553 . . . . 0.0 111.9 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -59.52 111.77 1.04 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.343 2.695 . . . . 0.0 110.805 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -75.85 -13.28 60.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.579 0.752 . . . . 0.0 111.173 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.15 116.99 54.07 Favored 'Isoleucine or valine' 0 C--N 1.345 0.403 0 C-N-CA 125.244 1.417 . . . . 0.0 108.814 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -127.74 -53.13 1.34 Allowed 'General case' 0 C--N 1.34 0.16 0 C-N-CA 125.4 1.48 . . . . 0.0 109.402 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -85.27 57.63 4.56 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 124.756 1.222 . . . . 0.0 108.471 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 28.9 t 179.58 -56.4 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.459 2.303 . . . . 0.0 107.547 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 16.1 t70 59.32 -88.03 0.02 OUTLIER 'General case' 0 C--N 1.344 0.333 0 C-N-CA 126.005 1.722 . . . . 0.0 109.672 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -149.03 113.87 5.4 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.066 1.346 . . . . 0.0 108.859 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 31.4 mm -97.15 94.93 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -78.19 99.75 6.34 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.0 t -82.16 110.15 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.707 0.803 . . . . 0.0 109.485 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -73.74 -63.64 1.17 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 117.494 -1.241 . . . . 0.0 109.394 179.549 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.317 0 C4'-C3'-C2' 99.245 -3.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 0 P-O3'-C3' 123.485 3.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.943 1 O4'-C1'-N19 114.897 8.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.052 0 C4'-C3'-O3' 104.184 -2.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 1 P-O3'-C3' 124.639 4.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ' DA' . . . . . 0.586 H5'' HH11 ' B' ' 64' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.187 1 O4'-C1'-N19 113.05 6.562 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ' DT' . . . . . 1.101 ' H72' HG21 ' B' ' 26' ' ' THR . . . . . . . . 0 O5'--C5' 1.393 -2.913 2 O4'-C1'-N19 111.987 5.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ' DT' . . . . . 0.974 ' H72' ' HZ ' ' B' ' 66' ' ' PHE . . . . . . . . 0 C5'--C4' 1.527 2.002 3 O4'-C1'-N19 114.959 8.949 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.352 1 P-O3'-C3' 125.958 5.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ' DC' . . . . . 0.404 ' H6 ' " H2'" ' A' ' 10' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 P-O3'-C3' 123.586 3.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 1 O4'-C1'-N19 111.37 4.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.807 1 O4'-C1'-N19 113.453 7.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.726 " H3'" ' OE1' ' B' ' 11' ' ' GLU . . . . . . . . 0 C5'--C4' 1.535 2.944 0 C4'-C3'-C2' 99.458 -3.742 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.972 ' H72' ' HA ' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.797 0 O4'-C4'-C3' 109.317 3.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . 0.977 ' N7 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C4'-C3' 110.017 4.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 1.116 ' C7 ' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.533 2.783 2 O4'-C1'-N19 116.533 10.917 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.226 1 O4'-C1'-N19 112.412 5.765 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.74 2 O3'-P-O5' 95.504 -4.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.33 1 O4'-C1'-N19 111.524 4.655 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.627 3 C5'-C4'-C3' 107.784 -4.611 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.859 1 P-O3'-C3' 124.505 4.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.577 1 O4'-C1'-N19 112.356 5.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.003 2 P-O3'-C3' 125.772 5.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.768 1 O4'-C1'-N19 116.341 10.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 110.855 -0.054 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -154.82 -37.06 0.09 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.134 0.974 . . . . 0.0 111.362 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -137.66 170.95 15.18 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 125.192 1.397 . . . . 0.0 109.851 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 pp -65.18 139.28 97.55 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 123.038 0.535 . . . . 0.0 110.085 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -77.57 147.66 25.35 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 123.513 2.808 . . . . 0.0 111.909 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.687 ' O ' H5'' ' C' ' 13' ' ' ' DA' . 44.0 mm-40 -84.28 93.89 8.32 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 178.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -80.36 142.57 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.879 1.272 . . . . 0.0 111.114 -176.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.0 t -128.0 177.03 7.15 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 127.235 2.214 . . . . 0.0 107.671 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.71 -61.08 2.85 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.84 31.59 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.682 1.193 . . . . 0.0 112.467 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.726 ' OE1' " H3'" ' C' ' 13' ' ' ' DA' . 19.6 tt0 -61.59 -52.41 64.52 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.065 0.946 . . . . 0.0 111.733 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -34.15 57.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.547 1.139 . . . . 0.0 112.187 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -49.17 -41.07 35.44 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.29 -44.95 35.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 20.5 mtp -54.48 -40.9 68.92 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.314 1.046 . . . . 0.0 110.624 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -54.91 -50.15 69.51 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.135 1.374 . . . . 0.0 107.969 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 38.2 t -67.1 -37.52 79.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.368 1.067 . . . . 0.0 111.311 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 10.0 mt -64.36 -43.59 97.1 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 CA-C-N 119.349 0.977 . . . . 0.0 109.447 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -61.47 -19.23 61.79 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.811 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -68.95 -49.49 57.56 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 175.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' HIS . . . . . 0.85 ' ND1' ' O ' ' B' ' 23' ' ' SER . 15.0 t-80 -69.87 159.1 34.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.391 1.476 . . . . 0.0 108.163 177.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 23.3 p -62.29 -60.06 4.11 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.85 ' O ' ' ND1' ' B' ' 21' ' ' HIS . 56.7 m -130.35 -154.84 0.66 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 101.798 -3.408 . . . . 0.0 101.798 160.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.275 10.8 tt -150.7 151.62 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 O-C-N 119.936 -1.728 . . . . 0.0 111.408 174.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -112.35 173.83 6.18 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 122.283 2.31 . . . . 0.0 104.883 174.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' THR . . . . . 1.101 HG21 ' H72' ' A' ' 7' ' ' ' DT' . 0.8 OUTLIER -59.42 -19.61 48.62 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -178.689 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -54.44 5.06 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 119.723 1.147 . . . . 0.0 111.107 176.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.12 -39.22 66.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.046 1.339 . . . . 0.0 112.026 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.0 -45.67 96.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 125.114 1.365 . . . . 0.0 110.866 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.45 -61.07 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.189 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -48.81 -32.96 9.55 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.126 0.97 . . . . 0.0 112.725 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -84.95 -61.82 1.69 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.778 0.831 . . . . 0.0 113.127 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.58 -57.11 5.6 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.0 p -42.76 -37.38 1.75 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -67.1 -48.54 67.85 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.091 0.556 . . . . 0.0 111.721 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 75.2 p -78.09 -47.58 17.96 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.229 1.012 . . . . 0.0 113.403 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 100.0 p -92.68 162.5 14.13 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 125.161 1.384 . . . . 0.0 113.244 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 31.7 p -58.59 -66.94 0.41 Allowed 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.618 1.167 . . . . 0.0 108.102 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -11.14 97.62 0.01 OUTLIER 'General case' 0 C--N 1.345 0.392 0 C-N-CA 129.185 2.994 . . . . 0.0 113.847 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 59.7 p -61.41 159.07 34.0 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 124.604 1.162 . . . . 0.0 110.125 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -44.24 -37.1 9.77 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 124.52 3.48 . . . . 0.0 114.666 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.436 ' O ' ' H71' ' C' ' 16' ' ' ' DT' . 22.3 pttp -66.99 -44.04 81.42 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.455 0.702 . . . . 0.0 110.139 177.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' THR . . . . . 1.116 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 76.9 m -67.78 -21.95 65.22 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.545 1.538 . . . . 0.0 112.536 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.6 mm -65.98 -42.05 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 118.667 0.667 . . . . 0.0 110.448 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -49.6 -48.03 49.16 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.006 1.323 . . . . 0.0 113.164 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.977 HG21 ' N7 ' ' C' ' 15' ' ' ' DG' . 3.9 t -68.25 -36.95 80.25 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.5 -1.238 . . . . 0.0 112.841 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.617 ' HG3' ' O ' ' B' ' 43' ' ' THR . 9.9 mtm -45.85 -26.58 0.7 Allowed 'General case' 0 C--N 1.344 0.343 0 C-N-CA 126.388 1.875 . . . . 0.0 114.758 -172.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.609 HD13 ' CE2' ' B' ' 68' ' ' TYR . 70.4 mt -85.72 -55.63 3.88 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 126.213 1.805 . . . . 0.0 108.479 178.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.582 HD21 ' C7 ' ' A' ' 8' ' ' ' DT' . 0.3 OUTLIER -62.07 -17.93 59.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.033 2.133 . . . . 0.0 112.951 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.972 ' HA ' ' H72' ' C' ' 14' ' ' ' DT' . 48.2 mtm180 -55.36 -60.81 2.89 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 119.462 1.028 . . . . 0.0 108.493 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -50.58 -54.34 23.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.134 1.773 . . . . 0.0 111.18 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 19.4 mt -48.39 -35.61 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.718 1.607 . . . . 0.0 113.008 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -55.43 -46.35 76.69 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.323 0.511 . . . . 0.0 111.156 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -92.73 -17.93 23.6 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.42 0.688 . . . . 0.0 110.533 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.69 20.09 12.34 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 117.514 -1.715 . . . . 0.0 114.523 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.49 -7.68 49.07 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.765 2.283 . . . . 0.0 112.994 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.1 mt -151.12 164.55 36.25 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.02 2.528 . . . . 0.0 106.93 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -142.12 124.57 15.71 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 117.425 -1.274 . . . . 0.0 110.423 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -93.85 149.24 21.4 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 120.736 1.607 . . . . 0.0 111.845 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -147.12 144.63 29.16 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 125.17 1.388 . . . . 0.0 108.56 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -83.0 97.98 9.02 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -86.97 79.14 8.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.686 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 58.78 -88.38 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 C-N-CA 125.127 1.346 . . . . 0.0 112.804 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.586 HH11 H5'' ' A' ' 6' ' ' ' DA' . 1.8 tmt_? -67.59 -61.71 1.76 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.184 0.993 . . . . 0.0 111.161 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.44 HG23 " H3'" ' A' ' 6' ' ' ' DA' . 2.3 p -133.11 158.49 43.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 C-N-CA 123.896 0.878 . . . . 0.0 112.234 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.974 ' HZ ' ' H72' ' A' ' 8' ' ' ' DT' . 0.1 OUTLIER -82.29 134.07 35.26 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 125.64 1.576 . . . . 0.0 108.698 179.678 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 40.1 t -125.94 139.69 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 113.823 -1.535 . . . . 0.0 108.755 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' TYR . . . . . 0.609 ' CE2' HD13 ' B' ' 48' ' ' LEU . 0.9 OUTLIER -93.96 120.56 34.39 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 103.935 -2.617 . . . . 0.0 103.935 -178.146 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 33.8 p -96.07 127.83 39.34 Favored Pre-proline 0 C--N 1.342 0.239 0 C-N-CA 125.03 1.332 . . . . 0.0 112.093 -173.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -56.56 96.7 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.768 2.979 . . . . 0.0 113.044 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -64.16 -33.89 76.81 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.03 0.932 . . . . 0.0 109.582 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 10.2 pt -112.0 156.65 13.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 126.676 1.99 . . . . 0.0 106.52 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -100.13 161.74 13.41 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.557 0.743 . . . . 0.0 112.968 -176.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.37 -34.94 79.1 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.252 1.421 . . . . 0.0 110.899 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -62.14 -34.55 76.59 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 123.98 0.912 . . . . 0.0 110.937 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -63.87 -23.09 67.21 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.559 0.744 . . . . 0.0 111.294 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -132.4 -113.56 0.23 Allowed 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.844 1.258 . . . . 0.0 109.906 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 33.2 mm -90.77 104.42 15.36 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 C-N-CA 124.687 1.195 . . . . 0.0 108.883 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -77.01 99.83 5.43 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 33.7 m -74.08 148.71 8.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 123.787 0.835 . . . . 0.0 111.52 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.97 164.37 12.82 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.474 1.109 . . . . 0.0 112.283 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.251 1.152 0 CA-C-O 117.57 -1.205 . . . . 0.0 109.959 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.157 0 C4'-C3'-C2' 100.577 -2.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.733 0 P-O3'-C3' 124.158 3.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.988 2 O4'-C1'-N19 111.913 5.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.678 2 C4'-C3'-C2' 98.585 -4.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ' DT' . . . . . 0.421 H2'' ' OP2' ' A' ' 6' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.744 0 N19-C1'-C2' 120.36 3.85 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ' DA' . . . . . 0.706 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.54 3.637 1 O4'-C1'-N19 111.263 4.329 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.089 1 O4'-C1'-N19 113.892 7.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.509 2 O4'-C1'-N19 114.393 8.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.325 1 P-O3'-C3' 124.54 4.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.718 0 O4'-C1'-N19 110.99 3.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.744 0 P-O3'-C3' 124.247 3.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.928 1 O4'-C1'-N19 112.592 5.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.702 " H3'" ' OE1' ' B' ' 11' ' ' GLU . . . . . . . . 0 C5'--C4' 1.535 2.981 0 O4'-C1'-N19 110.312 3.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.579 ' C7 ' ' CB ' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.464 4 O4'-C1'-N19 112.519 5.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . 0.824 ' C8 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.542 3.887 1 O4'-C1'-N19 117.229 11.786 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 1.021 ' H73' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.538 3.347 2 O4'-C1'-N19 115.579 9.724 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.273 1 O4'-C1'-N19 111.496 4.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.695 3 O4'-C4'-C3' 110.611 5.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.231 1 O4'-C1'-N19 113.758 7.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.547 0 O4'-C4'-C3' 109.275 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.811 2 O4'-C1'-N19 111.73 4.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.423 H5'' ' NZ ' ' B' ' 61' ' ' LYS . . . . . . . . 0 C5'--C4' 1.532 2.673 0 P-O3'-C3' 124.174 3.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 115.064 9.08 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.675 0 P-O3'-C3' 123.795 3.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 119.84 -0.124 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 64.5 tttm 79.04 -59.83 0.38 Allowed 'General case' 0 C--N 1.342 0.245 0 C-N-CA 125.662 1.585 . . . . 0.0 110.436 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -58.98 -48.22 82.35 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.386 1.074 . . . . 0.0 109.61 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 24.1 pt -70.51 148.27 95.22 Favored Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 124.236 1.015 . . . . 0.0 109.923 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -75.08 134.8 18.11 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.227 2.618 . . . . 0.0 109.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.586 ' O ' H5'' ' C' ' 13' ' ' ' DA' . 1.2 tm0? -72.24 102.46 3.09 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -80.79 117.87 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 30.7 m -100.13 179.99 4.31 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.543 1.537 . . . . 0.0 108.283 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.86 -52.91 63.44 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -22.2 66.96 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.18 0.992 . . . . 0.0 113.349 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.702 ' OE1' " H3'" ' C' ' 13' ' ' ' DA' . 14.3 tt0 -73.2 -54.82 7.48 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.794 0.725 . . . . 0.0 110.075 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -56.64 -36.75 69.87 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.287 0.635 . . . . 0.0 111.809 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.57 -47.54 79.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.669 0.788 . . . . 0.0 110.891 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 m -73.2 -51.37 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 118.47 -0.776 . . . . 0.0 110.278 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 6.4 mmt -46.72 -36.98 7.75 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.421 1.088 . . . . 0.0 112.447 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -56.1 -52.48 64.14 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.472 1.109 . . . . 0.0 110.098 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.66 -40.0 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.466 0.707 . . . . 0.0 110.397 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mt -64.47 -44.15 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 122.508 0.323 . . . . 0.0 110.145 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -72.5 -24.24 61.14 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.833 0.853 . . . . 0.0 111.319 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -64.31 -45.46 87.83 Favored 'General case' 0 C--N 1.345 0.37 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -77.68 158.7 29.57 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.961 1.304 . . . . 0.0 107.635 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.4 p -58.72 -58.89 6.6 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -129.35 -154.12 0.61 Allowed 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 101.929 -3.36 . . . . 0.0 101.929 164.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.378 9.4 tt -150.4 152.05 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 121.85 2.113 . . . . 0.0 112.922 173.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -112.42 133.36 54.54 Favored 'General case' 0 N--CA 1.441 -0.883 1 N-CA-C 98.986 -4.45 . . . . 0.0 98.986 175.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 36.4 m -42.74 -26.98 0.15 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.533 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 0.1 OUTLIER -62.33 -44.49 96.36 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 120.521 1.51 . . . . 0.0 111.841 177.145 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -67.5 -41.83 83.84 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -57.15 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 118.675 -0.679 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 32.5 mt -59.29 -46.43 92.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 118.652 0.66 . . . . 0.0 110.344 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 0.8 OUTLIER -54.41 -39.22 67.09 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.358 0.663 . . . . 0.0 111.644 177.889 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.66 -61.87 1.86 Allowed 'General case' 0 C--N 1.342 0.281 0 CA-C-N 118.871 0.76 . . . . 0.0 112.29 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 mp -52.66 -40.99 63.39 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 127.178 2.191 . . . . 0.0 112.571 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -66.82 -39.73 87.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.516 0.726 . . . . 0.0 112.056 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -73.03 -44.42 60.87 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.241 0.616 . . . . 0.0 111.215 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p -73.43 -62.21 1.56 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.641 0.776 . . . . 0.0 111.741 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 16.1 t -92.84 162.18 14.2 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.693 1.197 . . . . 0.0 111.508 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 62.1 m -55.5 -60.75 2.99 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.909 1.284 . . . . 0.0 110.12 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -15.85 118.47 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 128.988 2.915 . . . . 0.0 115.582 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 58.4 p -77.76 174.59 5.7 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.805 1.242 . . . . 0.0 109.55 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -51.48 -39.71 64.13 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 123.368 2.712 . . . . 0.0 113.065 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.401 ' O ' ' H71' ' C' ' 16' ' ' ' DT' . 31.2 mmtp -67.94 -52.32 37.41 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.604 0.762 . . . . 0.0 110.035 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' THR . . . . . 1.021 ' HA ' ' H73' ' C' ' 16' ' ' ' DT' . 15.9 m -51.58 -30.75 22.07 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.11 1.764 . . . . 0.0 113.22 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.3 mt -77.17 -46.49 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 125.051 1.341 . . . . 0.0 112.32 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -48.8 -31.09 6.48 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.824 HG21 ' C8 ' ' C' ' 15' ' ' ' DG' . 11.4 t -64.11 -54.79 28.46 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.528 ' N ' HG23 ' B' ' 46' ' ' THR . 68.4 mtm -51.4 -52.52 45.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.573 1.149 . . . . 0.0 108.997 -176.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.2 mt -53.68 -53.22 55.13 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.363 1.465 . . . . 0.0 111.315 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.14 -45.31 85.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.424 1.09 . . . . 0.0 112.541 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.579 ' CB ' ' C7 ' ' C' ' 14' ' ' ' DT' . 19.2 mmt180 -68.06 -44.23 76.83 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 123.438 0.695 . . . . 0.0 111.835 -176.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.616 ' HB3' ' HB3' ' B' ' 56' ' ' ALA . 5.3 mp -52.27 -45.54 65.49 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 172.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.551 HD13 ' CD2' ' B' ' 59' ' ' HIS . 59.5 mt -62.29 -43.12 97.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.667 0.667 . . . . 0.0 111.237 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.96 -40.14 94.57 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.607 0.763 . . . . 0.0 110.686 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -89.18 -7.1 56.28 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.817 1.247 . . . . 0.0 113.558 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.33 -9.18 45.41 Favored Glycine 0 CA--C 1.535 1.324 0 N-CA-C 117.961 1.945 . . . . 0.0 117.961 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.616 ' HB3' ' HB3' ' B' ' 51' ' ' LEU . . . -56.33 -60.78 3.02 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 121.437 2.618 . . . . 0.0 113.235 178.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 mp -109.27 167.3 10.21 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.365 1.866 . . . . 0.0 112.743 -175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -140.76 118.67 11.81 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.958 0.903 . . . . 0.0 111.84 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' HIS . . . . . 0.551 ' CD2' HD13 ' B' ' 52' ' ' ILE . 0.2 OUTLIER -94.17 135.43 35.56 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.449 1.022 . . . . 0.0 111.737 177.454 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -147.2 142.14 26.96 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.091 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.423 ' NZ ' H5'' ' C' ' 22' ' ' ' DT' . 82.1 tttt -83.91 115.41 22.28 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.355 1.062 . . . . 0.0 109.687 -178.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -119.21 109.18 15.55 Favored 'General case' 0 C--N 1.343 0.326 0 C-N-CA 124.768 1.227 . . . . 0.0 112.319 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 50.96 -92.4 0.01 OUTLIER Glycine 0 C--N 1.341 0.813 0 C-N-CA 125.48 1.514 . . . . 0.0 113.593 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -67.99 -84.12 0.03 OUTLIER 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.94 0.896 . . . . 0.0 110.196 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.706 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 28.1 m -123.71 173.63 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.559 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -80.79 153.88 27.49 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -173.438 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 45.3 t -118.47 135.66 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 114.286 -1.325 . . . . 0.0 111.361 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.302 10.0 m-85 -94.37 121.35 35.8 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 173.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 66.9 p -117.2 123.57 29.92 Favored Pre-proline 0 CA--C 1.532 0.254 0 C-N-CA 123.737 0.815 . . . . 0.0 111.432 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -59.83 107.22 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 124.082 3.188 . . . . 0.0 110.469 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -74.34 -7.6 53.39 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.202 0.601 . . . . 0.0 111.782 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.44 117.08 54.36 Favored 'Isoleucine or valine' 0 C--N 1.345 0.393 0 C-N-CA 125.329 1.451 . . . . 0.0 110.124 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -127.71 -53.6 1.34 Allowed 'General case' 0 C--N 1.339 0.113 0 C-N-CA 125.746 1.618 . . . . 0.0 107.524 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.24 -37.27 72.05 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.828 1.251 . . . . 0.0 110.408 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 45.9 t -119.65 61.71 0.83 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.763 1.625 . . . . 0.0 107.784 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -55.9 -62.37 1.74 Allowed 'General case' 0 C--N 1.341 0.207 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -154.5 130.88 10.48 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.967 1.307 . . . . 0.0 108.795 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 50.0 mt -122.44 95.01 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -76.27 134.66 39.73 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.052 0.941 . . . . 0.0 109.932 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.02 144.15 12.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 123.816 0.846 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -69.7 -58.96 3.27 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.483 0.713 . . . . 0.0 109.124 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 117.05 -1.452 . . . . 0.0 109.462 179.341 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 C2'-C3'-O3' 117.667 2.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 1 O4'-C4'-C3' 109.869 4.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.147 0 P-O3'-C3' 124.205 3.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 1 O4'-C1'-N19 111.614 4.768 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.336 1 O4'-C1'-N19 113.159 6.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ' DA' . . . . . 0.816 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.538 3.365 3 C4'-C3'-C2' 97.207 -5.993 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 1 O4'-C1'-N19 111.355 4.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ' DT' . . . . . 0.406 ' H73' ' HB2' ' B' ' 49' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.793 2 O4'-C1'-N19 112.669 6.086 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O3'-P-O5' 97.381 -3.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.35 1 O4'-C1'-N19 111.843 5.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.186 0 O3'-P-O5' 109.613 2.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.451 1 O4'-C1'-N19 117.93 12.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.454 H2'' ' H71' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.118 1 O4'-C1'-N19 111.968 5.21 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.615 ' H72' ' HB2' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.693 0 P-O3'-C3' 124.072 3.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.335 1 O4'-C1'-N19 112.921 6.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 1.005 ' C7 ' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.54 3.597 1 O4'-C1'-N19 112.402 5.752 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 113.4 7.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.124 2 O4'-C1'-N19 112.704 6.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.823 1 P-O3'-C3' 126.022 5.268 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.824 2 O4'-C1'-N19 112.851 6.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.346 1 O4'-C1'-N19 112.224 5.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.887 3 O4'-C1'-N19 113.258 6.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.663 H5'' ' HG3' ' B' ' 64' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.581 1 O4'-C1'-N19 111.691 4.863 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 111.176 4.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.8 mtt . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp 65.79 105.41 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.955 1.702 . . . . 0.0 112.915 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm 57.94 71.78 0.56 Allowed 'General case' 0 C--N 1.343 0.288 0 C-N-CA 125.223 1.409 . . . . 0.0 110.292 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.97 170.59 10.93 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 125.178 1.391 . . . . 0.0 110.039 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -55.2 145.72 64.01 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 124.442 3.428 . . . . 0.0 112.919 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -78.29 81.75 4.63 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 58.4 mt -80.83 143.02 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.838 0.855 . . . . 0.0 110.88 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 96.6 p -139.54 -165.46 1.87 Allowed 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 127.025 2.13 . . . . 0.0 106.898 178.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -61.13 -47.87 84.28 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.01 82.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.028 0.931 . . . . 0.0 113.101 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -69.65 -46.48 66.06 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.323 0.51 . . . . 0.0 109.671 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' B' ' 16' ' ' LYS . 19.7 tp -61.11 -31.57 71.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.97 -43.98 98.0 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.071 0.85 . . . . 0.0 109.003 176.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -67.87 -60.36 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 124.471 1.108 . . . . 0.0 110.095 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 18.1 mmm -53.2 -41.56 65.4 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 125.035 1.334 . . . . 0.0 111.392 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' B' ' 12' ' ' LEU . 66.0 tttp -55.42 -50.64 69.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.607 1.563 . . . . 0.0 110.982 177.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.6 t -63.04 -48.77 86.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.339 0 C-N-CA 123.351 0.66 . . . . 0.0 110.279 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.8 mt -58.93 -41.81 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.978 0.911 . . . . 0.0 112.015 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -64.77 -17.64 64.36 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -71.0 -50.15 37.35 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.212 0.915 . . . . 0.0 108.746 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' HIS . . . . . 0.427 ' CG ' ' O ' ' B' ' 23' ' ' SER . 1.2 t-80 -72.39 153.26 41.54 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.904 1.682 . . . . 0.0 109.679 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 36.0 p -57.34 -58.42 8.34 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' B' ' 21' ' ' HIS . 37.1 m -128.42 -155.31 0.69 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 101.884 -3.376 . . . . 0.0 101.884 165.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.315 6.8 tt -151.54 139.38 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 122.608 2.458 . . . . 0.0 112.111 172.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -95.79 134.16 39.07 Favored 'General case' 0 N--CA 1.432 -1.356 0 N-CA-C 100.338 -3.949 . . . . 0.0 100.338 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.402 ' N ' ' OP2' ' A' ' 6' ' ' ' DA' . 0.2 OUTLIER -42.77 -34.61 0.95 Allowed 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 127.349 2.26 . . . . 0.0 112.876 -176.022 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 0.1 OUTLIER -56.48 -43.43 79.62 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.428 1.013 . . . . 0.0 111.847 178.752 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -67.96 -36.48 80.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 118.187 0.449 . . . . 0.0 110.802 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.87 -56.97 14.2 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 C-N-CA 123.612 0.765 . . . . 0.0 108.97 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.471 HD11 ' CG ' ' B' ' 45' ' ' GLN . 15.5 mt -61.53 -51.46 72.55 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 26.1 tptp -46.5 -40.73 13.01 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.29 0.636 . . . . 0.0 112.237 177.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -84.83 -61.73 1.71 Allowed 'General case' 0 C--N 1.344 0.339 0 C-N-CA 123.718 0.807 . . . . 0.0 112.671 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.29 -46.78 79.6 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.769 0.828 . . . . 0.0 113.201 -177.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 16.8 t -55.28 -34.11 63.81 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -72.73 -46.82 51.55 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.896 0.478 . . . . 0.0 110.99 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 65.0 p -71.4 -57.59 4.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.956 0.903 . . . . 0.0 112.289 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 88.7 p -92.83 162.13 14.23 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.886 1.274 . . . . 0.0 112.064 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 63.3 p -66.12 -48.38 71.05 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.479 1.111 . . . . 0.0 110.419 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -22.54 123.14 0.03 OUTLIER 'General case' 0 C--N 1.343 0.302 0 C-N-CA 129.293 3.037 . . . . 0.0 114.268 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 96.0 p -72.05 166.11 43.96 Favored Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 124.165 0.986 . . . . 0.0 109.962 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.16 -42.66 58.22 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.134 2.556 . . . . 0.0 110.807 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -58.65 -49.26 78.17 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.886 1.275 . . . . 0.0 110.567 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' THR . . . . . 1.005 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 82.1 m -60.17 -44.49 94.99 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 123.527 0.731 . . . . 0.0 110.784 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.91 -64.59 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-O 119.069 -0.491 . . . . 0.0 109.901 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLN . . . . . 0.471 ' CG ' HD11 ' B' ' 30' ' ' ILE . 21.9 mt-30 -45.03 -34.9 2.7 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.482 1.513 . . . . 0.0 114.733 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 92.1 m -77.51 -31.52 53.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.525 ' HG3' ' O ' ' B' ' 43' ' ' THR . 89.9 mtp -54.5 -51.35 65.39 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.606 HD12 ' CD2' ' B' ' 68' ' ' TYR . 1.0 OUTLIER -57.11 -50.92 71.29 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 124.951 1.301 . . . . 0.0 111.385 177.446 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.406 ' HB2' ' H73' ' A' ' 8' ' ' ' DT' . 3.2 tm? -53.95 -45.38 71.28 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.987 0.915 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.615 ' HB2' ' H72' ' C' ' 14' ' ' ' DT' . 19.3 mmt180 -68.59 -49.16 61.45 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.779 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.27 -49.68 17.07 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.139 0.976 . . . . 0.0 109.483 172.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.95 -44.27 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.758 0.823 . . . . 0.0 111.572 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -60.95 -38.39 85.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.598 0.759 . . . . 0.0 110.528 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -83.76 -17.39 41.31 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.768 1.227 . . . . 0.0 111.765 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.19 0.23 41.08 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 117.273 -1.848 . . . . 0.0 116.928 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.92 -51.56 68.74 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 121.198 2.499 . . . . 0.0 112.208 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mp -116.72 167.35 11.16 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.614 1.966 . . . . 0.0 112.211 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -140.53 128.03 21.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.378 1.071 . . . . 0.0 109.554 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.25 148.65 22.0 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 119.016 0.825 . . . . 0.0 112.743 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -146.19 119.11 8.72 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.466 1.106 . . . . 0.0 110.029 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -83.12 96.83 8.52 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.46 94.89 9.33 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.456 1.902 . . . . 0.0 112.914 -175.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.46 -89.45 0.01 OUTLIER Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.853 1.216 . . . . 0.0 112.839 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.663 ' HG3' H5'' ' C' ' 23' ' ' ' DT' . 9.6 ttm180 -64.28 -79.79 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.024 0.93 . . . . 0.0 109.905 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.816 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 32.8 m -133.93 173.6 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.949 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.657 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -81.31 154.09 26.72 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 118.617 2.821 . . . . 0.0 118.617 -172.52 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 1.7 m -125.58 139.32 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.757 0 C-N-CA 126.167 1.787 . . . . 0.0 110.147 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' TYR . . . . . 0.606 ' CD2' HD12 ' B' ' 48' ' ' LEU 0.264 4.9 m-85 -94.36 121.22 35.67 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 105.811 -1.922 . . . . 0.0 105.811 179.422 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 74.9 p -101.16 110.16 60.52 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 126.409 1.884 . . . . 0.0 108.904 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -58.04 109.66 0.52 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.538 2.825 . . . . 0.0 111.589 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -72.62 -12.83 61.2 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.553 0.741 . . . . 0.0 111.769 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.41 161.81 10.9 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 C-N-CA 126.2 1.8 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -58.36 156.99 9.24 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.829 1.252 . . . . 0.0 112.553 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.43 -41.5 94.13 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.111 0.964 . . . . 0.0 110.851 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 80.7 p -112.21 59.92 0.63 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.238 1.415 . . . . 0.0 107.973 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.0 -42.69 72.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.744 0.818 . . . . 0.0 110.426 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -76.42 -48.05 21.06 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.042 0.937 . . . . 0.0 111.171 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 58.3 mt -82.13 108.96 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -74.73 99.46 3.72 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.907 0.883 . . . . 0.0 109.555 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 28.8 m -86.76 148.76 4.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 124.767 1.227 . . . . 0.0 110.326 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 166.96 10.49 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.288 1.035 . . . . 0.0 112.209 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 116.806 -1.569 . . . . 0.0 110.786 179.544 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 0 C2'-C3'-O3' 117.594 2.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.184 0 C4'-C3'-C2' 99.422 -3.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.564 1 O4'-C1'-N19 111.796 4.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 0 P-O3'-C3' 123.838 3.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.491 1 O4'-C1'-N19 114.097 7.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ' DA' . . . . . 0.625 " H3'" ' CD1' ' B' ' 66' ' ' PHE . . . . . . . . 0 C5'--C4' 1.532 2.685 3 O4'-C1'-N19 112.066 5.332 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.642 1 P-O3'-C3' 124.965 4.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 2 P-O3'-C3' 125.792 5.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.395 3 O4'-C4'-C3' 111.091 5.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 1 O4'-C1'-N19 112.391 5.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O3'-P-O5' 97.734 -3.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.632 1 O4'-C1'-N19 118.037 12.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.487 H5'' ' OE1' ' B' ' 11' ' ' GLU . . . . . . . . 0 C5'--C4' 1.533 2.798 0 C4'-C3'-C2' 100.618 -2.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.68 ' H71' ' O ' ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.535 3.044 1 P-O3'-C3' 125.183 4.569 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.71 2 C4'-C3'-C2' 98.035 -5.165 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 1.042 ' C7 ' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.543 3.966 1 O4'-C1'-N19 114.805 8.757 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 1 O4'-C1'-N19 111.687 4.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.529 2 O4'-C1'-N19 113.652 7.315 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.204 1 O4'-C1'-N19 112.461 5.826 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.129 0 P-O3'-C3' 123.609 3.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.022 1 O4'-C1'-N19 111.626 4.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 2 O4'-C1'-N19 111.734 4.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.012 1 O4'-C4'-C3' 110.352 4.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.609 4.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.0 mtm . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 111.277 0.103 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.94 98.75 3.65 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -80.27 -94.58 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 15.2 tt -167.25 87.7 0.77 Allowed Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.17 124.08 15.4 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.376 2.718 . . . . 0.0 113.146 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.472 ' HB2' " H5'" ' C' ' 13' ' ' ' DA' . 23.3 mp0 -78.52 81.19 4.87 Favored 'General case' 0 C--N 1.341 0.198 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 61.7 mt -80.65 144.28 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 124.08 0.952 . . . . 0.0 111.349 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 83.3 p -137.02 -166.6 1.94 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.595 2.358 . . . . 0.0 106.421 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.28 -47.06 86.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -45.22 88.65 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.502 1.121 . . . . 0.0 113.71 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' B' ' 15' ' ' MET . 15.3 tt0 -65.31 -51.88 57.7 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.479 0.581 . . . . 0.0 110.548 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -62.9 -38.49 91.14 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.06 0.944 . . . . 0.0 111.406 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -54.05 -35.94 62.53 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 118.976 0.807 . . . . 0.0 111.311 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.84 -58.75 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 4.7 mtt -46.1 -43.57 14.86 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.297 1.439 . . . . 0.0 111.52 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -48.7 -48.12 40.48 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.316 1.846 . . . . 0.0 110.857 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.0 t -69.93 -47.18 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 118.755 0.707 . . . . 0.0 110.285 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.6 mt -57.37 -43.02 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.834 1.254 . . . . 0.0 112.775 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -62.44 -25.17 67.82 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -68.91 -45.16 71.6 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -73.27 154.63 40.1 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.612 1.565 . . . . 0.0 109.279 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 45.7 t -60.45 -58.84 6.76 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 54.6 m -128.81 -154.8 0.66 Allowed 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 101.618 -3.475 . . . . 0.0 101.618 165.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.343 14.5 tt -150.87 134.23 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 122.73 2.514 . . . . 0.0 112.439 172.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -93.0 134.29 35.28 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 101.652 -3.462 . . . . 0.0 101.652 175.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.98 -31.03 0.46 Allowed 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -176.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -41.73 80.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 121.374 1.897 . . . . 0.0 111.728 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -71.48 -38.92 71.18 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 123.32 0.648 . . . . 0.0 111.293 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -55.11 20.29 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.552 HD11 ' CG ' ' B' ' 45' ' ' GLN . 25.3 mt -57.78 -58.38 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 124.027 0.931 . . . . 0.0 108.703 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -43.4 -48.92 7.16 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.9 0.75 . . . . 0.0 112.957 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -74.8 -60.04 2.46 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.5 -27.7 67.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 92.3 p -69.86 -31.78 69.8 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.179 0.899 . . . . 0.0 110.806 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -67.74 -47.17 70.02 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.302 1.041 . . . . 0.0 110.495 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -81.07 -61.17 2.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.181 1.393 . . . . 0.0 112.092 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 38.2 m -92.79 162.15 14.24 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 124.837 1.255 . . . . 0.0 111.182 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 41.8 p -62.05 -63.89 1.11 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.207 1.003 . . . . 0.0 110.165 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -2.49 111.45 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 130.213 3.405 . . . . 0.0 115.184 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 89.4 p -69.66 170.35 9.83 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 124.437 1.095 . . . . 0.0 110.241 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -52.48 -47.81 25.12 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.996 2.464 . . . . 0.0 111.031 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.562 ' C ' ' H72' ' C' ' 16' ' ' ' DT' . 43.2 mttp -53.17 -50.78 63.91 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.919 1.288 . . . . 0.0 110.129 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' THR . . . . . 1.042 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 93.1 m -59.88 -53.92 52.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.668 0.787 . . . . 0.0 111.001 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -54.42 -64.79 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.42 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLN . . . . . 0.552 ' CG ' HD11 ' B' ' 30' ' ' ILE . 20.4 mt-30 -46.64 -30.78 2.48 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.458 1.103 . . . . 0.0 113.875 -178.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.68 ' O ' ' H71' ' C' ' 14' ' ' ' DT' . 59.6 m -86.85 -25.49 24.49 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.651 1.18 . . . . 0.0 113.686 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.644 ' HA ' ' H73' ' C' ' 14' ' ' ' DT' . 95.1 mtp -54.52 -48.2 72.22 Favored 'General case' 0 C--N 1.341 0.227 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 176.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -40.64 75.85 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 127.147 2.179 . . . . 0.0 112.995 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 tp -44.99 -46.26 11.05 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.969 1.307 . . . . 0.0 114.486 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.495 ' HB2' ' H72' ' C' ' 14' ' ' ' DT' . 9.6 mmp_? -71.28 -39.81 71.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.603 0.638 . . . . 0.0 110.342 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.465 ' HG ' ' HB3' ' B' ' 56' ' ' ALA . 9.5 mp -56.24 -33.24 65.22 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.51 0.724 . . . . 0.0 109.212 174.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.504 HD13 ' CD2' ' B' ' 59' ' ' HIS . 68.3 mt -69.31 -46.98 75.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 121.315 -0.865 . . . . 0.0 110.343 175.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.79 -46.81 80.48 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -91.13 -17.61 25.85 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.825 0.85 . . . . 0.0 112.193 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.51 23.04 9.77 Favored Glycine 0 CA--C 1.531 1.089 0 N-CA-C 120.641 3.017 . . . . 0.0 120.641 172.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.465 ' HB3' ' HG ' ' B' ' 51' ' ' LEU . . . -71.54 -47.01 57.91 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 123.562 3.681 . . . . 0.0 109.553 175.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 mp -127.27 162.0 27.25 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.152 2.181 . . . . 0.0 108.926 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -141.29 149.67 41.55 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 124.148 0.979 . . . . 0.0 110.882 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' HIS . . . . . 0.504 ' CD2' HD13 ' B' ' 52' ' ' ILE . 0.2 OUTLIER -93.7 148.42 22.13 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 119.011 0.823 . . . . 0.0 112.095 179.234 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -142.57 115.06 8.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.992 1.317 . . . . 0.0 110.173 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -83.42 98.18 9.36 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.398 1.079 . . . . 0.0 110.694 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -86.75 138.3 31.73 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.958 2.103 . . . . 0.0 108.14 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -23.5 -48.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 C-N-CA 127.733 2.587 . . . . 0.0 114.883 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -66.36 -85.83 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.608 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 30.7 m -143.11 173.26 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.373 0 N-CA-C 102.712 -3.069 . . . . 0.0 102.712 177.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.625 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -80.94 153.71 27.38 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -174.849 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 m -123.11 139.5 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.157 0 C-N-CA 125.462 1.505 . . . . 0.0 109.475 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.25 18.8 m-85 -94.7 121.35 36.19 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 61.1 p -103.28 120.61 51.46 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 125.921 1.688 . . . . 0.0 112.198 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -62.98 113.41 2.0 Allowed 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 123.112 2.541 . . . . 0.0 110.724 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -77.97 -14.17 59.62 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.391 0.677 . . . . 0.0 111.348 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.15 137.06 46.36 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 C-N-CA 124.71 1.204 . . . . 0.0 109.671 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -140.73 -61.55 0.5 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.262 1.425 . . . . 0.0 108.19 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -40.98 99.34 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.287 1.035 . . . . 0.0 109.965 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 79.5 p -101.45 57.98 0.85 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.135 1.374 . . . . 0.0 107.989 177.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -52.36 -64.58 0.77 Allowed 'General case' 0 C--N 1.342 0.24 0 C-N-CA 125.073 1.349 . . . . 0.0 109.734 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -161.31 129.17 4.24 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.767 1.227 . . . . 0.0 109.856 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 11.5 mt -112.76 95.08 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.3 1.44 . . . . 0.0 107.378 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -79.44 99.7 7.33 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.5 t -74.54 113.1 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt 69.76 79.69 0.19 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.593 1.157 . . . . 0.0 109.684 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.346 -1.311 . . . . 0.0 109.974 179.807 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 O4'-C1'-N19 110.697 3.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.483 2 C4'-C3'-C2' 98.159 -5.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.153 0 O4'-C1'-N19 110.452 3.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.938 1 O4'-C1'-N19 111.427 4.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 1 O4'-C1'-N19 113.291 6.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ' DA' . . . . . 0.759 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.535 3.026 1 O5'-C5'-C4' 117.517 5.226 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.312 2 O4'-C1'-N19 112.739 6.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ' DT' . . . . . 0.499 ' H72' HD23 ' B' ' 49' ' ' LEU . . . . . . . . 0 C5'--C4' 1.531 2.487 2 O4'-C1'-N19 112.363 5.703 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 3 P-O3'-C3' 125.131 4.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.449 0 P-O3'-C3' 122.947 2.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.041 1 O4'-C1'-N19 111.704 4.88 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 1 O4'-C1'-N19 113.406 7.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.586 " H5'" ' HB2' ' B' ' 6' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -2.86 1 C5'-C4'-C3' 108.586 -4.076 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.676 ' H72' ' HB2' ' B' ' 50' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.102 1 P-O3'-C3' 125.602 4.918 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . 1.017 ' N7 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.542 3.902 1 O4'-C1'-N19 112.133 5.416 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 0.931 ' C7 ' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.54 3.602 1 O4'-C1'-N19 115.257 9.322 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.74 1 O4'-C1'-N19 111.708 4.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.239 2 O4'-C1'-N19 113.032 6.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.109 2 O4'-C1'-N19 114.745 8.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.733 0 P-O3'-C3' 123.879 3.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 1 P-O3'-C3' 124.857 4.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 2 O4'-C1'-N19 112.977 6.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.421 " C2'" ' H71' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 112.372 5.715 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.421 ' H71' " C2'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 112.872 6.34 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 91.2 mtp . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.2 tttp 72.9 79.0 0.14 Allowed 'General case' 0 C--N 1.342 0.26 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -82.43 -128.47 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.508 1.123 . . . . 0.0 111.188 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.61 -61.29 8.17 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.5 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.07 142.16 37.74 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 121.964 1.776 . . . . 0.0 110.191 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.586 ' HB2' " H5'" ' C' ' 13' ' ' ' DA' . 37.8 mt-30 -77.92 84.58 4.2 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.556 0.742 . . . . 0.0 109.28 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.7 mt -80.37 139.59 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.57 1.148 . . . . 0.0 111.214 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.7 p -129.55 -167.75 1.84 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 127.564 2.346 . . . . 0.0 106.699 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -62.46 -51.52 67.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.69 -39.43 68.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.511 1.124 . . . . 0.0 113.468 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.72 -45.88 64.11 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 118.299 0.5 . . . . 0.0 110.516 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.65 -41.96 99.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.963 0.505 . . . . 0.0 110.215 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.01 -47.07 68.59 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 123.608 0.763 . . . . 0.0 112.923 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -71.46 -47.09 60.65 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 118.614 0.643 . . . . 0.0 111.959 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mmt -46.78 -38.64 10.43 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.954 1.302 . . . . 0.0 112.743 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -59.95 -42.83 94.92 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.766 0.826 . . . . 0.0 111.85 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.41 -37.11 79.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.332 0 CA-C-N 118.853 0.752 . . . . 0.0 109.771 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ILE . . . . . 0.469 HG23 HG22 ' B' ' 24' ' ' ILE . 3.5 mt -67.54 -44.85 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.199 0.599 . . . . 0.0 109.451 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -70.92 -23.89 62.35 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.015 0.926 . . . . 0.0 111.76 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -65.7 -47.81 74.12 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -76.22 163.66 26.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.055 1.342 . . . . 0.0 107.988 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -61.5 -59.27 5.49 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -129.74 -154.74 0.65 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 102.449 -3.167 . . . . 0.0 102.449 164.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.469 HG22 HG23 ' B' ' 18' ' ' ILE 0.374 8.0 tt -150.99 152.07 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 122.207 2.276 . . . . 0.0 113.187 173.746 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -111.26 145.01 39.52 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 101.968 -3.345 . . . . 0.0 101.968 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -43.14 -32.98 0.8 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -45.32 89.82 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 121.166 1.803 . . . . 0.0 111.141 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -68.05 -39.04 83.12 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 119.278 -0.391 . . . . 0.0 110.06 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -58.05 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.1 mt -59.19 -52.56 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.705 0.802 . . . . 0.0 109.67 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -45.55 -41.94 10.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.563 0.745 . . . . 0.0 112.533 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.89 -57.64 3.55 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.093 0.957 . . . . 0.0 112.669 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.86 -54.68 41.58 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 126.319 1.848 . . . . 0.0 111.634 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.1 p -57.98 -31.05 66.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.387 0.675 . . . . 0.0 112.663 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -66.12 -49.28 68.04 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.951 0.9 . . . . 0.0 109.785 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -77.7 -61.6 1.94 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.274 1.43 . . . . 0.0 112.729 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 93.9 p -92.7 162.28 14.21 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.208 1.403 . . . . 0.0 112.113 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 87.4 m -59.26 -63.68 1.22 Allowed 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.423 1.089 . . . . 0.0 109.211 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -4.16 111.93 0.01 OUTLIER 'General case' 0 C--N 1.345 0.397 0 C-N-CA 129.564 3.146 . . . . 0.0 115.141 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 95.6 p -65.99 167.33 12.12 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 124.561 1.144 . . . . 0.0 110.312 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -50.14 -37.56 48.71 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 123.42 2.747 . . . . 0.0 112.038 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.695 ' C ' ' H72' ' C' ' 16' ' ' ' DT' . 72.8 mmtt -66.63 -51.57 54.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.176 0.99 . . . . 0.0 110.54 178.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.931 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 62.0 m -56.6 -22.39 33.46 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.437 1.495 . . . . 0.0 112.196 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 71.1 mt -83.56 -49.92 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 123.995 0.918 . . . . 0.0 109.105 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -60.77 -33.48 73.03 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.116 1.366 . . . . 0.0 113.386 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' THR . . . . . 1.017 HG21 ' N7 ' ' C' ' 15' ' ' ' DG' . 13.5 t -68.26 -41.25 81.35 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.477 ' HA ' ' H73' ' C' ' 14' ' ' ' DT' . 53.2 mtt -53.65 -59.46 4.58 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.405 HD13 ' CZ ' ' B' ' 68' ' ' TYR . 18.5 mt -52.41 -40.51 62.22 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 127.859 2.464 . . . . 0.0 111.084 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.499 HD23 ' H72' ' A' ' 8' ' ' ' DT' . 2.9 tm? -62.41 -49.79 74.11 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.396 0.678 . . . . 0.0 110.578 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.676 ' HB2' ' H72' ' C' ' 14' ' ' ' DT' . 3.8 mmt85 -70.93 -38.47 72.9 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.498 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.432 ' HB3' ' HB3' ' B' ' 56' ' ' ALA . 6.6 mp -52.74 -49.3 65.73 Favored 'General case' 0 N--CA 1.423 -1.786 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 173.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ILE . . . . . 0.454 HD13 ' CD2' ' B' ' 59' ' ' HIS . 92.3 mt -62.93 -38.7 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 118.546 0.612 . . . . 0.0 112.525 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -64.58 -46.47 82.58 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.501 0.591 . . . . 0.0 111.347 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -84.87 -12.77 52.78 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.403 1.081 . . . . 0.0 113.163 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.51 7.36 37.15 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 116.349 -2.362 . . . . 0.0 118.675 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' B' ' 51' ' ' LEU . . . -58.3 -55.09 39.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 122.445 3.123 . . . . 0.0 111.346 175.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.1 167.28 12.37 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.526 2.331 . . . . 0.0 112.163 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -140.89 127.33 19.95 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.541 1.136 . . . . 0.0 109.961 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' HIS . . . . . 0.454 ' CD2' HD13 ' B' ' 52' ' ' ILE . 0.4 OUTLIER -94.41 145.37 24.82 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.448 1.022 . . . . 0.0 113.377 179.198 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -146.64 133.29 19.89 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.865 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -82.94 98.92 9.47 Favored 'General case' 0 C--N 1.344 0.335 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -86.81 80.93 8.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.778 1.631 . . . . 0.0 111.997 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.16 -84.67 0.05 OUTLIER Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.447 1.022 . . . . 0.0 112.716 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -65.42 -78.39 0.05 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.779 0.832 . . . . 0.0 109.788 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.759 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 29.9 m -134.89 174.18 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 N-CA-C 104.112 -2.551 . . . . 0.0 104.112 178.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.67 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -80.66 154.13 27.52 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 118.605 2.817 . . . . 0.0 118.605 -172.416 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -119.81 134.88 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 CA-C-N 111.77 -2.468 . . . . 0.0 109.733 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' TYR . . . . . 0.405 ' CZ ' HD13 ' B' ' 48' ' ' LEU 0.314 33.2 m-85 -94.28 127.17 39.99 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 176.802 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 71.4 p -114.34 117.09 43.59 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 123.608 0.763 . . . . 0.0 112.089 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -62.21 105.43 0.4 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 124.28 3.32 . . . . 0.0 111.182 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -75.68 -10.39 59.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.534 0.734 . . . . 0.0 112.168 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.4 161.21 11.39 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 C-N-CA 125.564 1.546 . . . . 0.0 110.971 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -85.73 161.74 19.04 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.576 1.151 . . . . 0.0 110.604 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.76 -33.68 5.41 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.808 1.643 . . . . 0.0 111.617 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.9 m -58.21 -38.82 77.54 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.873 0.869 . . . . 0.0 111.579 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -65.27 -49.03 71.15 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.59 0.756 . . . . 0.0 111.34 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -71.24 -65.24 0.77 Allowed 'General case' 0 C--N 1.342 0.263 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 45.8 mt -86.79 94.69 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -78.92 99.6 6.87 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.805 0.842 . . . . 0.0 109.284 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 12.8 p -74.3 148.4 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.33 1.052 . . . . 0.0 110.295 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.47 -35.31 0.09 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.387 1.075 . . . . 0.0 111.726 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 C--O 1.251 1.134 0 C-N-CA 125.159 1.384 . . . . 0.0 110.147 -179.408 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 C2'-C3'-O3' 117.224 2.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.047 1 O4'-C4'-C3' 110.048 4.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.242 0 P-O3'-C3' 124.034 3.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.753 0 P-O3'-C3' 123.528 3.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.041 0 P-O3'-C3' 124.35 3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ' DA' . . . . . 0.867 " C2'" HG21 ' B' ' 26' ' ' THR . . . . . . . . 0 C5'--C4' 1.533 2.788 3 O4'-C1'-N19 116.995 11.494 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ' DT' . . . . . 0.973 H5'' ' CE2' ' B' ' 66' ' ' PHE . . . . . . . . 0 O4'--C4' 1.41 -3.25 3 O4'-C1'-N19 114.91 8.888 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ' DT' . . . . . 0.434 ' C6 ' HD23 ' B' ' 49' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 3.228 3 O4'-C1'-N19 112.101 5.376 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 1 P-O3'-C3' 126.183 5.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.082 0 P-O3'-C3' 124.226 3.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.01 0 P-O3'-C3' 124.339 3.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.569 1 O4'-C1'-N19 111.571 4.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 0 O4'-C1'-N19 110.641 3.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 1.132 ' H73' ' HD2' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 3.056 2 P-O3'-C3' 125.582 4.901 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . 0.964 ' N7 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.532 2.678 0 C5'-C4'-O4' 103.49 -3.694 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 1.066 ' H73' ' CA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.535 2.955 2 O4'-C1'-N19 114.832 8.79 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 3 O4'-C1'-N19 111.888 5.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.557 2 P-O3'-C3' 125.126 4.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 2 O4'-C1'-N19 113.166 6.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.435 1 O4'-C1'-N19 111.203 4.254 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.349 1 O4'-C1'-N19 112.157 5.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.414 " H4'" ' O ' ' B' ' 64' ' ' ARG . . . . . . . . 0 P--O5' 1.621 2.766 1 P-O3'-C3' 124.828 4.274 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 3 O4'-C1'-N19 111.622 4.778 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 1 O4'-C1'-N19 111.38 4.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.8 ttm . . . . . 0 N--CA 1.472 0.648 0 CA-C-O 120.378 0.132 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -82.24 -73.31 0.4 Allowed 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.734 0.814 . . . . 0.0 108.932 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt 54.42 41.85 31.73 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.398 1.479 . . . . 0.0 111.275 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -151.63 58.85 2.9 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 124.477 1.111 . . . . 0.0 109.803 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -67.56 157.16 63.04 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 123.442 2.762 . . . . 0.0 111.516 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.89 104.15 2.85 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.176 0.99 . . . . 0.0 108.65 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 mm -121.4 151.69 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 125.248 1.419 . . . . 0.0 108.896 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -144.27 -178.06 5.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 126.907 2.083 . . . . 0.0 107.555 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.05 -45.13 93.65 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.2 96.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.375 1.07 . . . . 0.0 111.847 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -75.07 -26.75 59.58 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.053 0.541 . . . . 0.0 110.594 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.95 -36.9 84.62 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -56.72 -40.03 74.97 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.193 0.597 . . . . 0.0 111.225 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.5 m -76.71 -41.17 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 122.62 0.368 . . . . 0.0 110.665 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.432 ' HB3' ' CZ3' ' B' ' 19' ' ' TRP . 0.3 OUTLIER -58.02 -37.17 73.82 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.737 0.815 . . . . 0.0 110.368 177.426 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.6 -45.47 85.25 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.459 1.104 . . . . 0.0 110.001 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 t -62.32 -39.01 82.61 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 C-N-CA 123.755 0.822 . . . . 0.0 110.161 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.31 -49.63 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' TRP . . . . . 0.432 ' CZ3' ' HB3' ' B' ' 15' ' ' MET . 7.7 m0 -68.23 -24.32 64.9 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.837 -0.601 . . . . 0.0 112.445 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -65.3 -46.02 82.06 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -76.54 158.41 31.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.991 1.316 . . . . 0.0 109.052 177.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -59.34 -58.97 6.28 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 65.9 p -129.23 -154.77 0.66 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 164.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.341 8.9 tt -151.0 152.35 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 120.803 1.638 . . . . 0.0 110.555 172.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -107.24 143.78 34.98 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 101.374 -3.565 . . . . 0.0 101.374 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.867 HG21 " C2'" ' A' ' 6' ' ' ' DA' . 0.2 OUTLIER -42.63 -34.24 0.85 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.764 2.826 . . . . 0.0 112.31 -178.223 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -56.48 6.77 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.763 1.62 . . . . 0.0 109.291 174.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -51.61 -33.52 33.31 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.482 0.713 . . . . 0.0 111.05 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -59.73 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.6 mt -59.02 -52.17 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 118.814 0.734 . . . . 0.0 110.829 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -46.29 -53.4 10.82 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.155 0.982 . . . . 0.0 113.183 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.43 -56.31 13.17 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.461 0.573 . . . . 0.0 112.28 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.404 HD23 HG23 ' B' ' 44' ' ' ILE . 7.3 mp -53.82 -40.99 66.86 Favored 'General case' 0 N--CA 1.432 -1.36 0 C-N-CA 126.948 2.099 . . . . 0.0 111.951 -178.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 96.9 p -69.28 -35.26 75.85 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.019 0.928 . . . . 0.0 112.522 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -72.42 -46.57 54.55 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.193 0.597 . . . . 0.0 110.624 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 51.4 p -70.83 -63.48 1.09 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.253 1.021 . . . . 0.0 111.864 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -92.9 162.73 13.96 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.222 1.409 . . . . 0.0 111.698 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 44.2 p -66.83 -106.66 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.992 1.317 . . . . 0.0 109.428 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 15.3 m0 56.45 -131.05 1.71 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.399 1.0 . . . . 0.0 111.181 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 27.8 t 177.02 156.01 0.44 Allowed Pre-proline 0 CA--C 1.534 0.364 0 C-N-CA 126.739 2.016 . . . . 0.0 106.9 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -49.08 -36.49 35.82 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.08 2.52 . . . . 0.0 112.491 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.843 ' O ' ' C7 ' ' C' ' 16' ' ' ' DT' . 65.2 mttp -77.29 -36.47 54.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.409 1.083 . . . . 0.0 111.396 178.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' THR . . . . . 1.066 ' CA ' ' H73' ' C' ' 16' ' ' ' DT' . 42.3 m -64.32 -49.31 72.24 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 123.145 0.578 . . . . 0.0 110.645 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.404 HG23 HD23 ' B' ' 33' ' ' LEU . 30.6 mt -45.94 -38.86 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 125.337 1.455 . . . . 0.0 112.308 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -52.79 -37.41 59.68 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.253 1.021 . . . . 0.0 113.511 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.964 HG21 ' N7 ' ' C' ' 15' ' ' ' DG' . 3.9 t -68.69 -42.63 77.52 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.612 1.096 . . . . 0.0 112.066 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 56.7 mtt -57.73 -46.5 84.35 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.96 -36.92 80.67 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.428 0.691 . . . . 0.0 109.346 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' B' ' 53' ' ' LYS . 0.9 OUTLIER -73.91 -29.5 62.08 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.911 0.778 . . . . 0.0 112.942 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 1.132 ' HD2' ' H73' ' C' ' 14' ' ' ' DT' . 3.7 mmp_? -59.8 -43.75 94.31 Favored 'General case' 0 C--N 1.342 0.281 0 CA-C-N 120.372 1.442 . . . . 0.0 107.991 176.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' B' ' 56' ' ' ALA . 3.4 mp -66.03 -65.51 0.67 Allowed 'General case' 0 N--CA 1.427 -1.587 0 C-N-CA 128.952 2.901 . . . . 0.0 110.614 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.78 -19.96 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 126.796 2.038 . . . . 0.0 112.912 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' B' ' 49' ' ' LEU . 26.9 ttpp -55.0 -39.3 68.91 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -105.4 -2.81 23.37 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.083 1.353 . . . . 0.0 111.25 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.54 32.06 8.42 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-O 117.484 -1.731 . . . . 0.0 113.245 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.574 ' HB3' ' HB3' ' B' ' 51' ' ' LEU . . . -48.36 -43.4 33.52 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.326 1.563 . . . . 0.0 114.374 -172.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.75 153.02 24.06 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -90.01 129.46 36.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -94.19 129.17 40.9 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.434 1.494 . . . . 0.0 109.123 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -146.2 110.97 5.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 123.449 0.468 . . . . 0.0 110.191 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.44 ' HA ' ' CB ' ' B' ' 66' ' ' PHE . 42.6 pttt -80.04 93.03 5.68 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 124.124 1.916 . . . . 0.0 106.955 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -99.24 137.38 37.83 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 110.942 -2.845 . . . . 0.0 110.855 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 15.21 -77.22 0.0 OUTLIER Glycine 0 C--N 1.344 1.011 0 C-N-CA 129.18 3.276 . . . . 0.0 115.396 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.414 ' O ' " H4'" ' C' ' 22' ' ' ' DT' . 24.3 mmt180 -69.78 -82.19 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.478 0.711 . . . . 0.0 111.262 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.633 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 1.3 m -135.38 168.59 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.973 ' CE2' H5'' ' A' ' 7' ' ' ' DT' . 0.0 OUTLIER -81.6 145.1 30.8 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 120.494 1.497 . . . . 0.0 113.889 -172.124 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.49 139.46 24.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 127.693 2.397 . . . . 0.0 111.982 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' TYR . . . . . 0.549 ' CE2' HG23 ' B' ' 26' ' ' THR . 30.8 m-85 -97.11 131.09 44.22 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 176.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 72.7 p -131.56 125.19 20.48 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 123.526 0.73 . . . . 0.0 109.625 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -48.63 96.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 124.734 3.622 . . . . 0.0 114.382 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -73.96 -17.83 60.96 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.67 0.788 . . . . 0.0 110.171 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.405 ' H ' ' CD1' ' B' ' 72' ' ' ILE . 0.0 OUTLIER -112.19 159.95 11.88 Favored 'Isoleucine or valine' 0 C--N 1.344 0.346 0 C-N-CA 126.43 1.892 . . . . 0.0 110.127 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.96 162.25 28.24 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.385 1.074 . . . . 0.0 111.795 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.84 -48.92 74.85 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.995 0.918 . . . . 0.0 109.355 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 50.7 m -87.2 22.27 2.15 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.399 1.08 . . . . 0.0 111.867 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -66.94 -37.08 83.63 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.264 0.626 . . . . 0.0 109.602 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -89.17 -61.58 1.67 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.801 1.241 . . . . 0.0 109.62 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 38.6 mt -84.35 107.24 15.35 Favored 'Isoleucine or valine' 0 C--N 1.34 0.184 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -74.81 99.73 3.84 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.289 0.636 . . . . 0.0 109.725 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.59 139.18 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.771 0.828 . . . . 0.0 110.185 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -89.82 -52.2 5.1 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 124.385 1.074 . . . . 0.0 108.319 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.259 -1.353 . . . . 0.0 109.215 179.434 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 C2'-C3'-O3' 117.701 2.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.821 0 P-O3'-C3' 123.85 3.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.984 0 P-O3'-C3' 124.365 3.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.932 0 O4'-C4'-C3' 109.031 3.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ' DT' . . . . . 0.41 " O3'" HG12 ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.535 3.055 2 O4'-C1'-N19 112.692 6.115 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ' DA' . . . . . 0.605 " H3'" ' HB3' ' B' ' 66' ' ' PHE . . . . . . . . 0 C5'--C4' 1.532 2.601 2 P-O3'-C3' 125.16 4.55 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ' DT' . . . . . 0.562 ' H72' ' OH ' ' B' ' 68' ' ' TYR . . . . . . . . 0 C5'--C4' 1.535 3.037 2 O4'-C1'-N19 115.149 9.186 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.492 1 P-O3'-C3' 126.546 5.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.915 3 P-O3'-C3' 126.476 5.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.201 3 O4'-C1'-N19 113.645 7.306 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.077 0 P-O3'-C3' 124.392 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.972 1 O4'-C1'-N19 112.653 6.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 1.092 H5'' ' O ' ' B' ' 6' ' ' GLN . . . . . . . . 0 C5'--C4' 1.538 3.395 2 O4'-C1'-N19 111.906 5.133 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 1.021 ' H72' ' HG2' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.658 0 O4'-C1'-N19 110.73 3.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . 0.833 ' N7 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.539 3.553 2 O4'-C1'-N19 111.368 4.46 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 0.982 ' H73' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 113.341 6.927 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.434 1 O4'-C1'-N19 114.471 8.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.995 0 O3'-P-O5' 96.671 -3.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.175 1 O4'-C1'-N19 112.417 5.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 2 C5'-C4'-C3' 106.826 -5.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 0 P-O3'-C3' 124.389 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.658 0 O4'-C1'-N19 110.632 3.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.622 2 O4'-C1'-N19 111.426 4.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.586 2 O4'-C1'-N19 111.55 4.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.474 0.725 0 CA-C-O 120.58 0.229 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -136.52 157.82 45.89 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.882 1.273 . . . . 0.0 109.819 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.48 90.97 3.3 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 78.4 mt -128.3 92.93 39.95 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 106.946 -1.502 . . . . 0.0 106.946 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -56.93 146.31 80.3 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 124.018 3.145 . . . . 0.0 112.873 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 1.092 ' O ' H5'' ' C' ' 13' ' ' ' DA' . 45.5 tt0 -81.75 93.38 6.8 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.943 0.897 . . . . 0.0 109.095 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mm -80.86 141.64 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.783 1.233 . . . . 0.0 108.742 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -123.72 176.04 6.5 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.393 1.877 . . . . 0.0 107.39 177.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.24 -48.59 80.79 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.26 74.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.861 0.864 . . . . 0.0 111.227 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.637 ' OE1' " H3'" ' C' ' 13' ' ' ' DA' . 8.1 tt0 -67.69 -60.19 2.74 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -49.95 -38.68 37.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.06 1.344 . . . . 0.0 112.102 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -62.01 -47.83 83.0 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.873 0.76 . . . . 0.0 110.794 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 51.4 t -67.88 -57.09 10.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 C-N-CA 124.145 0.978 . . . . 0.0 109.387 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.446 ' HB3' ' CZ3' ' B' ' 19' ' ' TRP . 79.7 mmm -48.05 -42.62 28.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.562 1.545 . . . . 0.0 111.685 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -62.82 -43.33 99.09 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 125.635 1.574 . . . . 0.0 109.915 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 t -65.03 -36.76 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.181 0.593 . . . . 0.0 109.435 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -69.36 -42.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' TRP . . . . . 0.446 ' CZ3' ' HB3' ' B' ' 15' ' ' MET . 8.0 m0 -66.28 -24.61 66.59 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 126.668 1.987 . . . . 0.0 111.134 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -69.63 -47.46 63.34 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.91 164.25 26.93 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.98 1.312 . . . . 0.0 107.715 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.3 p -64.94 -60.41 3.09 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 105.556 -2.016 . . . . 0.0 105.556 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 72.3 m -130.87 -155.58 0.7 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 103.375 -2.824 . . . . 0.0 103.375 160.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.29 9.2 tt -151.53 151.54 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 121.527 1.967 . . . . 0.0 112.567 174.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -99.2 178.32 4.94 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 104.413 -2.44 . . . . 0.0 104.413 172.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.1 m -63.66 -56.04 18.79 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' B' ' 31' ' ' LYS . 2.9 m120 -69.26 -16.69 63.64 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 117.295 -1.762 . . . . 0.0 114.34 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -72.66 -43.4 63.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.66 -54.24 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-O 118.902 -0.571 . . . . 0.0 109.742 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.4 mt -54.17 -54.71 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 118.579 0.627 . . . . 0.0 109.948 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 17.1 tppt? -50.46 -49.09 56.11 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.31 -56.22 8.16 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -41.28 63.27 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.051 0.94 . . . . 0.0 111.678 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 66.6 m -61.68 -29.33 70.02 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -73.58 -48.94 28.92 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.401 0.546 . . . . 0.0 110.208 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 47.3 p -70.98 -64.61 0.87 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.348 1.059 . . . . 0.0 111.288 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m -92.87 162.33 14.14 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.425 1.49 . . . . 0.0 111.418 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 80.5 m -58.45 -68.12 0.29 Allowed 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.274 1.029 . . . . 0.0 109.842 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -2.59 113.57 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 129.342 3.057 . . . . 0.0 116.579 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 60.2 p -76.93 176.46 3.43 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 124.481 1.112 . . . . 0.0 109.221 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -52.43 -42.53 60.52 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 123.038 2.492 . . . . 0.0 112.964 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.438 ' O ' ' H71' ' C' ' 16' ' ' ' DT' . 3.0 mppt? -63.21 -53.43 53.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.839 0.856 . . . . 0.0 109.508 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.982 ' HA ' ' H73' ' C' ' 16' ' ' ' DT' . 8.0 m -50.36 -36.02 30.59 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.478 1.911 . . . . 0.0 114.109 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -77.67 -44.57 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 124.354 1.062 . . . . 0.0 112.371 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -50.19 -26.04 4.21 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.833 HG21 ' N7 ' ' C' ' 15' ' ' ' DG' . 12.4 t -68.73 -46.35 69.14 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 119.757 1.162 . . . . 0.0 111.913 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.464 ' N ' HG23 ' B' ' 46' ' ' THR . 64.9 mtm -53.58 -59.63 4.35 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LEU . . . . . 0.441 HD22 ' CE2' ' B' ' 68' ' ' TYR . 42.0 mt -46.54 -58.21 4.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.778 1.231 . . . . 0.0 110.891 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -53.68 -40.38 65.9 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.293 1.437 . . . . 0.0 112.353 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 1.021 ' HG2' ' H72' ' C' ' 14' ' ' ' DT' . 12.5 tpp180 -77.47 -40.22 43.89 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.321 1.048 . . . . 0.0 110.065 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.86 -33.28 74.93 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 123.542 0.737 . . . . 0.0 109.823 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.42 -38.16 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.091 0.956 . . . . 0.0 110.143 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -75.7 -46.34 31.78 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.892 0.877 . . . . 0.0 111.36 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -77.78 -17.64 57.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.491 1.117 . . . . 0.0 112.195 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.11 14.96 55.35 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 116.786 -2.119 . . . . 0.0 117.503 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.81 -34.08 64.44 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 121.874 2.837 . . . . 0.0 110.424 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' B' ' 70' ' ' PRO . 84.5 mt -131.58 164.28 26.2 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.431 1.493 . . . . 0.0 108.992 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -141.51 136.67 31.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.395 1.078 . . . . 0.0 111.015 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 143.25 26.53 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-N 118.915 0.78 . . . . 0.0 112.087 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -146.36 133.75 20.74 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 123.519 0.727 . . . . 0.0 110.502 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -83.16 119.77 24.95 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.853 0.861 . . . . 0.0 109.721 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -127.18 78.69 1.83 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.415 1.486 . . . . 0.0 109.486 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 40.24 -85.8 0.01 OUTLIER Glycine 0 CA--C 1.531 1.078 0 C-N-CA 126.736 2.112 . . . . 0.0 115.388 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -51.92 -53.7 37.95 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.153 1.781 . . . . 0.0 113.341 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.41 HG12 " O3'" ' A' ' 5' ' ' ' DT' . 0.6 OUTLIER -152.88 149.62 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 N-CA-C 104.25 -2.5 . . . . 0.0 104.25 -178.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.605 ' HB3' " H3'" ' A' ' 6' ' ' ' DA' . 0.1 OUTLIER -81.28 152.71 27.46 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 173.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 87.1 t -125.78 138.36 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.37 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.961 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' TYR . . . . . 0.562 ' OH ' ' H72' ' A' ' 7' ' ' ' DT' 0.265 33.9 m-85 -93.31 120.59 33.77 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 101.768 -3.419 . . . . 0.0 101.768 175.11 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 80.4 p -112.61 135.67 21.53 Favored Pre-proline 0 N--CA 1.451 -0.392 0 C-N-CA 124.927 1.291 . . . . 0.0 108.624 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PRO . . . . . 0.526 ' HA ' HD23 ' B' ' 57' ' ' LEU . 72.0 Cg_endo -73.73 116.8 4.8 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 122.419 2.079 . . . . 0.0 111.331 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -62.23 -29.57 70.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.886 1.674 . . . . 0.0 111.271 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 pt -112.13 116.8 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 126.1 1.76 . . . . 0.0 108.652 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -132.12 -40.13 1.04 Allowed 'General case' 0 C--N 1.34 0.175 0 C-N-CA 126.081 1.752 . . . . 0.0 109.635 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.09 -50.64 65.35 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 69.0 m -72.48 -62.38 1.46 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.43 1.092 . . . . 0.0 108.998 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 50.73 60.58 3.76 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.371 1.469 . . . . 0.0 109.702 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 10.9 t80 63.91 115.79 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.689 1.996 . . . . 0.0 112.166 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 mt -89.35 97.15 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.75 121.57 21.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.896 0.879 . . . . 0.0 109.032 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 14.4 p -74.35 138.03 21.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 123.54 0.736 . . . . 0.0 109.245 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -138.1 -60.86 0.62 Allowed 'General case' 0 C--N 1.339 0.132 0 C-N-CA 124.412 1.085 . . . . 0.0 109.105 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--O 1.252 1.188 0 CA-C-O 117.35 -1.309 . . . . 0.0 109.979 179.597 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.965 0 O4'-C4'-C3' 108.857 3.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 0 P-O3'-C3' 124.265 3.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 0 P-O3'-C3' 124.348 3.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.38 4.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.371 1 O4'-C1'-N19 112.839 6.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ' DA' . . . . . 0.685 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.54 3.603 3 C4'-C3'-C2' 97.166 -6.034 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.641 2.844 2 O4'-C1'-N19 112.418 5.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.632 1 P-O3'-C3' 125.298 4.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 1 P-O3'-C3' 124.938 4.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.914 1 O4'-C1'-N19 111.861 5.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.968 0 C4'-C3'-C2' 99.877 -3.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.692 1 O4'-C1'-N19 116.201 10.501 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.569 H5'' ' O ' ' B' ' 6' ' ' GLN . . . . . . . . 0 O4'--C4' 1.414 -2.948 1 O4'-C4'-C3' 109.745 4.145 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.678 ' H73' ' HA ' ' B' ' 47' ' ' MET . . . . . . . . 0 C5'--C4' 1.54 3.652 3 P-O3'-C3' 126.041 5.284 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.318 0 O4'-C1'-N19 110.767 3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . 1.116 ' C7 ' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.541 3.688 1 O4'-C1'-N19 112.292 5.615 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.209 1 O4'-C1'-N19 111.717 4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 2 O4'-C1'-N19 112.585 5.981 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.162 2 O4'-C1'-N19 113.693 7.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.955 1 O4'-C1'-N19 114.475 8.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 0 P-O3'-C3' 124.001 3.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.868 0 O4'-C1'-N19 110.645 3.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 2 O4'-C1'-N19 113.384 6.979 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.86 1 O4'-C1'-N19 112.877 6.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptp . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -80.95 72.22 7.95 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.042 0.937 . . . . 0.0 108.788 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -163.94 113.16 1.22 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.337 1.055 . . . . 0.0 108.712 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 8.5 tp -85.19 119.0 71.98 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 124.511 1.124 . . . . 0.0 108.17 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -59.28 132.8 48.65 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.945 2.43 . . . . 0.0 112.154 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.569 ' O ' H5'' ' C' ' 13' ' ' ' DA' . 27.8 tp60 -78.43 81.43 4.77 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 59.0 mt -80.78 144.83 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 124.538 1.135 . . . . 0.0 111.84 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 84.1 p -135.0 -169.28 2.33 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 127.866 2.466 . . . . 0.0 106.686 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -61.23 -47.95 83.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.93 94.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.169 0.987 . . . . 0.0 113.399 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' B' ' 15' ' ' MET . 13.6 tt0 -64.49 -52.39 58.14 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.567 0.622 . . . . 0.0 110.513 -178.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -41.25 97.68 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.594 1.158 . . . . 0.0 111.829 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -52.7 -36.07 56.64 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 118.51 0.595 . . . . 0.0 111.831 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.93 -58.47 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.876 0.87 . . . . 0.0 109.015 177.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 24.4 mtp -45.99 -44.9 15.41 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 125.548 1.539 . . . . 0.0 111.226 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -47.89 -49.98 28.05 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.885 1.674 . . . . 0.0 110.825 177.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 t -68.39 -48.17 74.15 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 CA-C-N 118.784 0.72 . . . . 0.0 110.481 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mt -57.0 -40.09 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 124.394 1.078 . . . . 0.0 112.017 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -65.78 -23.56 66.74 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.95 -46.94 64.19 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' HIS . . . . . 0.636 ' ND1' ' O ' ' B' ' 23' ' ' SER . 25.5 t-80 -70.89 153.44 42.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.159 1.783 . . . . 0.0 109.363 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -59.68 -58.88 6.67 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.636 ' O ' ' ND1' ' B' ' 21' ' ' HIS . 33.9 m -128.8 -155.08 0.68 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 101.135 -3.654 . . . . 0.0 101.135 164.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.321 13.2 tt -150.91 137.95 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 121.911 2.141 . . . . 0.0 112.221 172.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -96.25 134.45 39.35 Favored 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 100.738 -3.801 . . . . 0.0 100.738 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.02 -32.89 0.72 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.902 2.081 . . . . 0.0 113.458 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -41.69 87.04 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 120.044 1.293 . . . . 0.0 110.933 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -71.74 -36.5 70.46 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.414 0.685 . . . . 0.0 111.498 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -55.04 19.0 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.519 HD11 ' HG3' ' B' ' 45' ' ' GLN . 26.5 mt -59.61 -52.62 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 124.19 0.996 . . . . 0.0 109.178 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -46.52 -41.81 14.75 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 123.543 0.527 . . . . 0.0 112.233 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -82.87 -61.64 1.82 Allowed 'General case' 0 C--N 1.343 0.318 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.16 -38.22 85.68 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -176.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 6.9 t -66.25 -27.74 68.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.362 0.983 . . . . 0.0 112.924 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -78.71 -46.84 18.11 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.077 0.551 . . . . 0.0 110.468 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.1 p -71.92 -56.62 5.36 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.223 1.009 . . . . 0.0 111.392 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 40.5 m -92.69 162.1 14.29 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.722 1.209 . . . . 0.0 110.18 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -60.66 -58.22 9.38 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.096 0.958 . . . . 0.0 110.691 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -11.02 118.98 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 130.126 3.37 . . . . 0.0 115.973 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 40.2 t -67.63 158.47 82.67 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 125.412 1.485 . . . . 0.0 109.214 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -49.36 -42.15 41.52 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.833 2.356 . . . . 0.0 112.247 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -65.96 -40.29 91.16 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.741 0.816 . . . . 0.0 111.518 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' THR . . . . . 1.116 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 39.2 m -59.71 -46.62 88.54 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.112 0.565 . . . . 0.0 109.778 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.76 -63.19 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.511 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLN . . . . . 0.519 ' HG3' HD11 ' B' ' 30' ' ' ILE . 87.2 mt-30 -42.42 -34.74 0.87 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.414 1.486 . . . . 0.0 114.729 -178.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 96.4 m -84.0 -27.49 28.38 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.809 0.843 . . . . 0.0 113.243 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.678 ' HA ' ' H73' ' C' ' 14' ' ' ' DT' . 94.0 mtp -53.01 -48.23 67.69 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.84 -44.79 86.71 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 126.347 1.859 . . . . 0.0 112.331 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 20.4 tp -43.47 -52.83 5.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.189 1.396 . . . . 0.0 114.41 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.405 ' HB2' ' H72' ' C' ' 14' ' ' ' DT' . 31.8 mmt180 -69.59 -40.16 76.86 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.27 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' B' ' 56' ' ' ALA . 11.0 mp -54.82 -34.06 62.34 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 119.644 1.111 . . . . 0.0 109.932 173.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.05 -29.32 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 123.54 0.736 . . . . 0.0 111.247 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -79.3 -46.5 17.6 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.242 1.017 . . . . 0.0 111.275 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -86.33 -17.53 34.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.468 1.507 . . . . 0.0 112.726 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.17 11.29 30.01 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 120.233 2.853 . . . . 0.0 120.233 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ALA . . . . . 0.401 ' HB3' ' HG ' ' B' ' 51' ' ' LEU . . . -68.5 -51.17 46.08 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 123.598 3.699 . . . . 0.0 109.907 176.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.54 166.29 12.27 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.116 1.766 . . . . 0.0 110.999 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -141.05 134.5 29.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.172 1.389 . . . . 0.0 109.531 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.4 149.39 21.28 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 119.578 1.081 . . . . 0.0 112.626 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -146.2 121.34 10.14 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.04 0.936 . . . . 0.0 110.563 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -82.92 94.97 7.83 Favored 'General case' 0 C--N 1.343 0.304 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -93.26 95.82 9.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.741 1.616 . . . . 0.0 112.494 -176.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.73 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.528 0.887 0 C-N-CA 125.409 1.481 . . . . 0.0 114.105 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -80.51 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.469 1.108 . . . . 0.0 109.486 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.685 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 27.3 m -135.05 173.46 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.017 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' PHE . . . . . 0.64 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -81.3 153.89 26.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 -173.363 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 m -125.87 139.69 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.764 0 C-N-CA 126.607 1.963 . . . . 0.0 110.328 173.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' TYR . . . . . 0.485 ' CG ' ' HZ ' ' B' ' 66' ' ' PHE 0.27 8.5 m-85 -94.15 121.26 35.46 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 178.808 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 73.2 p -100.53 113.56 65.56 Favored Pre-proline 0 N--CA 1.452 -0.361 0 C-N-CA 126.614 1.966 . . . . 0.0 109.759 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -57.33 106.44 0.23 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.484 2.789 . . . . 0.0 110.748 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -71.87 -9.34 58.18 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.735 0.814 . . . . 0.0 112.213 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.37 138.92 39.62 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 C-N-CA 125.188 1.395 . . . . 0.0 110.061 178.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -143.4 -52.79 0.36 Allowed 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.467 1.507 . . . . 0.0 108.615 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.79 -38.42 78.52 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.023 1.329 . . . . 0.0 110.911 177.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t -83.87 -71.64 0.5 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.611 1.164 . . . . 0.0 109.274 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 t70 48.55 51.66 15.07 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.285 1.434 . . . . 0.0 109.365 -178.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 27.3 t80 68.49 119.88 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 127.717 2.407 . . . . 0.0 111.769 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 30.5 mm -122.55 105.0 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 106.781 -1.562 . . . . 0.0 106.781 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -77.32 99.63 5.61 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -76.79 130.25 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 123.464 0.705 . . . . 0.0 109.218 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -168.57 165.43 12.32 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.558 1.143 . . . . 0.0 109.869 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.152 -1.404 . . . . 0.0 109.407 179.905 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . 0.509 ' HB3' ' HB2' ' B' ' 56' ' ' ALA . 68.3 Cg_endo . . . . . 0 N--CA 1.455 -0.759 0 N-CA-C 110.782 -0.507 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -84.19 109.36 17.68 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 35.6 mm -81.06 152.16 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.639 1.176 . . . . 0.0 111.41 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t -149.33 -174.62 4.71 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.542 2.337 . . . . 0.0 107.375 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.73 -61.19 2.8 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.316 0.646 . . . . 0.0 110.04 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -31.1 72.05 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.539 0.736 . . . . 0.0 112.599 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.689 ' O ' ' HG3' ' B' ' 15' ' ' MET . 0.0 OUTLIER -62.65 -52.76 62.07 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.414 0.685 . . . . 0.0 110.45 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.51 -45.99 84.89 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.226 1.01 . . . . 0.0 112.147 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -48.15 -47.33 34.94 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 m -69.38 -40.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-N 118.562 0.619 . . . . 0.0 111.481 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.689 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 27.0 mtp -51.64 -45.58 63.39 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.475 1.11 . . . . 0.0 110.499 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -51.31 -48.58 62.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 126.221 1.808 . . . . 0.0 111.168 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 t -65.94 -38.48 82.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.279 0 C-N-CA 123.284 0.634 . . . . 0.0 110.523 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.53 -44.14 90.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -68.95 -27.14 65.47 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.632 1.173 . . . . 0.0 111.705 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.35 -47.36 82.46 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -79.36 167.74 20.46 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.448 1.499 . . . . 0.0 107.999 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 43.6 p -63.71 -59.49 4.52 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 69.6 m -129.84 -154.55 0.64 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 102.475 -3.157 . . . . 0.0 102.475 163.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.356 10.3 tt -150.84 151.95 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 122.178 2.263 . . . . 0.0 113.371 174.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -110.98 148.27 32.89 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -43.13 -36.29 1.63 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -177.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -45.33 86.39 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 120.996 1.726 . . . . 0.0 111.086 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.92 -39.37 87.36 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -59.43 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.404 HG12 HG21 ' B' ' 44' ' ' ILE . 37.8 mt -60.35 -49.93 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.445 0.698 . . . . 0.0 110.461 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -48.98 -38.75 24.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 123.551 0.532 . . . . 0.0 112.339 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.26 -56.66 3.78 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.439 0.696 . . . . 0.0 112.371 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.01 -39.89 66.53 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 126.479 1.911 . . . . 0.0 112.044 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 95.4 p -67.53 -39.72 85.04 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.944 0.898 . . . . 0.0 112.511 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -70.99 -45.17 64.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.345 0.658 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.2 p -72.02 -65.29 0.79 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.869 0.867 . . . . 0.0 111.471 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 56.5 m -96.32 162.3 13.56 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.93 1.292 . . . . 0.0 111.769 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 35.6 p -54.72 -68.1 0.21 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.742 1.217 . . . . 0.0 110.286 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -3.6 115.79 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 129.871 3.268 . . . . 0.0 116.512 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 76.9 p -77.61 173.21 7.94 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 124.526 1.13 . . . . 0.0 109.411 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -51.72 -32.34 45.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.479 2.786 . . . . 0.0 113.278 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.08 -57.29 4.67 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.704 0.801 . . . . 0.0 108.895 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 11.9 m -51.07 -40.71 58.98 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 127.431 2.292 . . . . 0.0 113.076 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.404 HG21 HG12 ' B' ' 30' ' ' ILE . 22.7 mt -57.38 -49.35 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 125.404 1.482 . . . . 0.0 113.141 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -56.25 -30.94 63.07 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 118.411 2.745 . . . . 0.0 118.411 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 11.1 t -61.92 -43.62 98.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 120.828 1.649 . . . . 0.0 111.235 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.556 ' O ' HD22 ' B' ' 51' ' ' LEU . 4.1 mpp? -58.98 -25.59 63.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.93 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -87.65 -60.5 1.96 Allowed 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.339 1.056 . . . . 0.0 111.503 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.12 -54.21 46.11 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 126.26 1.824 . . . . 0.0 114.223 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -66.47 -43.67 84.84 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 118.09 0.405 . . . . 0.0 111.635 -176.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.556 HD22 ' O ' ' B' ' 47' ' ' MET . 5.9 mp -51.15 -52.94 39.14 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 124.903 1.281 . . . . 0.0 107.986 173.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -59.89 -42.83 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 118.153 0.433 . . . . 0.0 111.666 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.52 -37.57 81.56 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.627 0.771 . . . . 0.0 110.916 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -94.0 -9.41 36.96 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.899 1.28 . . . . 0.0 113.623 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.15 0.64 41.35 Favored Glycine 0 CA--C 1.533 1.216 0 CA-C-O 117.155 -1.914 . . . . 0.0 117.592 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.509 ' HB2' ' HB3' ' B' ' 5' ' ' PRO . . . -59.07 -51.25 70.86 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 121.44 2.62 . . . . 0.0 112.829 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 mp -122.45 166.98 13.9 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.96 2.504 . . . . 0.0 109.953 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -140.61 128.4 21.76 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.523 0.729 . . . . 0.0 111.153 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.53 150.01 20.78 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 119.01 0.823 . . . . 0.0 111.715 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -146.12 126.43 13.95 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 123.998 0.919 . . . . 0.0 110.112 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -83.57 93.13 7.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -86.97 138.03 31.86 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 126.753 2.021 . . . . 0.0 110.259 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -4.45 -68.7 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 C-N-CA 128.92 3.152 . . . . 0.0 115.928 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -72.41 -79.39 0.08 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.456 0.628 . . . . 0.0 110.258 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 34.0 m -133.4 173.69 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 N-CA-C 105.535 -2.024 . . . . 0.0 105.535 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.36 153.23 28.48 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -173.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.18 132.86 70.12 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.543 0 CA-C-N 112.112 -2.313 . . . . 0.0 109.9 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -95.0 120.98 36.13 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 103.46 -2.793 . . . . 0.0 103.46 174.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 73.2 p -112.9 128.57 25.44 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 125.384 1.473 . . . . 0.0 111.039 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -57.02 113.31 1.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.797 2.998 . . . . 0.0 111.395 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -76.38 -9.29 58.54 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.126 0.971 . . . . 0.0 111.465 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . 0.572 HD12 ' H ' ' B' ' 72' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 127.479 2.311 . . . . 0.0 107.471 177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo . . . . . 0 N--CA 1.461 -0.434 0 N-CA-C 111.083 -0.391 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -78.12 76.57 4.63 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -81.12 136.56 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.704 0.802 . . . . 0.0 109.944 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 30.7 t -132.76 -134.75 0.18 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -82.54 -56.64 3.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.62 -44.0 36.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.628 1.571 . . . . 0.0 114.741 -177.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -72.99 -47.55 44.2 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.65 -35.26 72.25 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.829 0.852 . . . . 0.0 111.419 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -55.8 -46.95 77.9 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.219 0.918 . . . . 0.0 109.516 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.76 -60.25 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 124.117 0.967 . . . . 0.0 110.212 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.9 mmt -51.4 -39.74 57.83 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.958 1.303 . . . . 0.0 112.625 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.62 -53.35 55.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.227 1.411 . . . . 0.0 109.828 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.02 -47.93 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 124.234 1.014 . . . . 0.0 110.091 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.32 -42.15 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 123.361 0.664 . . . . 0.0 111.044 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -67.15 -19.98 65.68 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -68.83 -48.23 64.05 Favored 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' B' ' 23' ' ' SER . 3.2 t-160 -72.76 152.43 41.61 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.033 1.733 . . . . 0.0 108.992 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -57.47 -58.27 9.0 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . 0.46 ' O ' ' CG ' ' B' ' 21' ' ' HIS . 28.6 p -128.35 -154.5 0.64 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 101.647 -3.464 . . . . 0.0 101.647 166.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.336 14.7 tt -150.52 141.5 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 122.852 2.569 . . . . 0.0 112.573 172.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -102.7 127.85 49.65 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 100.634 -3.839 . . . . 0.0 100.634 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -42.26 -29.35 0.25 Allowed 'General case' 0 C--O 1.227 -0.085 0 C-N-CA 127.755 2.422 . . . . 0.0 114.708 -173.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' B' ' 31' ' ' LYS . 2.6 p30 -61.55 -38.56 87.92 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 118.683 -1.207 . . . . 0.0 111.816 177.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -73.21 -37.83 66.31 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.534 0.733 . . . . 0.0 110.923 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -56.17 17.31 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -60.46 -52.8 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 123.769 0.828 . . . . 0.0 109.857 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 60.0 tptt -49.79 -36.96 28.06 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -84.78 -58.61 2.64 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 118.957 0.799 . . . . 0.0 112.457 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.34 -35.24 73.48 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 61.6 m -65.41 -32.41 74.02 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 119.301 0.955 . . . . 0.0 112.583 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -78.22 -44.31 25.99 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.882 0.873 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 61.6 p -74.83 -58.29 3.38 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.645 0.778 . . . . 0.0 111.247 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 46.5 m -92.72 162.05 14.3 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.537 1.135 . . . . 0.0 110.46 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.7 p -59.38 -56.29 23.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.052 0.941 . . . . 0.0 110.364 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -15.92 119.86 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 129.703 3.201 . . . . 0.0 116.05 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -76.43 175.43 4.35 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 125.252 1.421 . . . . 0.0 108.961 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -52.62 -45.11 42.46 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.913 2.409 . . . . 0.0 112.99 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -62.55 -52.84 61.86 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.701 0.8 . . . . 0.0 110.458 178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 10.6 m -47.45 -29.85 2.99 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.88 2.072 . . . . 0.0 114.226 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 75.6 mt -83.05 -47.02 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 124.297 1.039 . . . . 0.0 111.683 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -43.81 -35.89 2.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.974 1.709 . . . . 0.0 114.689 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 12.5 t -59.74 -42.7 93.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 118.673 0.67 . . . . 0.0 112.171 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 34.0 mtt -54.46 -55.03 33.07 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.096 -177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.463 ' H ' ' CD2' ' B' ' 48' ' ' LEU . 0.7 OUTLIER -56.2 -57.28 12.86 Favored 'General case' 0 N--CA 1.435 -1.208 0 C-N-CA 123.32 0.648 . . . . 0.0 111.525 178.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -52.51 -51.59 58.77 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.438 1.095 . . . . 0.0 112.58 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -68.39 -48.39 64.83 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 118.562 -0.733 . . . . 0.0 111.211 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 mp -50.08 -41.21 47.65 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 119.108 0.867 . . . . 0.0 109.0 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 64.8 mt -69.42 -35.78 68.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 118.925 0.784 . . . . 0.0 111.57 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -67.49 -46.48 72.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.935 0.894 . . . . 0.0 111.316 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -83.19 -17.71 41.88 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.742 0.817 . . . . 0.0 111.893 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.17 5.41 40.55 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-O 116.701 -2.166 . . . . 0.0 117.836 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.09 95.25 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 122.104 2.952 . . . . 0.0 111.025 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.41 166.89 12.11 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.576 1.95 . . . . 0.0 111.27 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -141.27 131.67 25.2 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.46 1.104 . . . . 0.0 109.834 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.34 148.06 22.38 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.98 1.263 . . . . 0.0 111.518 177.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -146.55 129.3 16.19 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 124.714 1.206 . . . . 0.0 110.956 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -83.78 108.88 17.09 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 123.525 0.73 . . . . 0.0 109.707 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -98.05 137.76 36.37 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 127.292 2.237 . . . . 0.0 107.694 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -14.59 -59.77 0.01 OUTLIER Glycine 0 C--N 1.344 0.979 0 C-N-CA 128.464 2.935 . . . . 0.0 115.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -68.72 -83.77 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 24.3 m -136.33 172.65 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 125.177 1.391 . . . . 0.0 107.3 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -81.59 150.88 27.93 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -173.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -122.88 139.48 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.317 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.808 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' B' ' 48' ' ' LEU . 68.9 m-85 -95.46 120.92 36.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 112.68 -2.055 . . . . 0.0 105.639 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 44.6 p -109.21 123.79 35.83 Favored Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 125.582 1.553 . . . . 0.0 111.9 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -59.52 111.77 1.04 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.343 2.695 . . . . 0.0 110.805 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -75.85 -13.28 60.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.579 0.752 . . . . 0.0 111.173 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.403 0 C-N-CA 125.244 1.417 . . . . 0.0 108.814 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo . . . . . 0 N--CA 1.456 -0.723 0 CA-C-O 120.862 0.276 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -84.28 93.89 8.32 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -80.36 142.57 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.879 1.272 . . . . 0.0 111.114 -176.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.0 t -128.0 177.03 7.15 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 127.235 2.214 . . . . 0.0 107.671 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.71 -61.08 2.85 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.84 31.59 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.682 1.193 . . . . 0.0 112.467 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.645 ' O ' ' HG3' ' B' ' 15' ' ' MET . 19.6 tt0 -61.59 -52.41 64.52 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.065 0.946 . . . . 0.0 111.733 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -34.15 57.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.547 1.139 . . . . 0.0 112.187 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -49.17 -41.07 35.44 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.29 -44.95 35.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 20.5 mtp -54.48 -40.9 68.92 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.314 1.046 . . . . 0.0 110.624 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -54.91 -50.15 69.51 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.135 1.374 . . . . 0.0 107.969 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 38.2 t -67.1 -37.52 79.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.368 1.067 . . . . 0.0 111.311 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 10.0 mt -64.36 -43.59 97.1 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 CA-C-N 119.349 0.977 . . . . 0.0 109.447 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -61.47 -19.23 61.79 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.811 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -68.95 -49.49 57.56 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 175.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 1.076 ' HD2' ' O ' ' B' ' 23' ' ' SER . 7.5 t60 -69.87 159.1 34.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.391 1.476 . . . . 0.0 108.163 177.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 23.3 p -62.29 -60.06 4.11 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . 1.076 ' O ' ' HD2' ' B' ' 21' ' ' HIS . 56.7 m -130.35 -154.84 0.66 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 101.798 -3.408 . . . . 0.0 101.798 160.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.275 10.8 tt -150.7 151.62 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 O-C-N 119.936 -1.728 . . . . 0.0 111.408 174.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -112.35 173.83 6.18 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 122.283 2.31 . . . . 0.0 104.883 174.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -19.61 48.62 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -178.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -54.44 5.06 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 119.723 1.147 . . . . 0.0 111.107 176.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.12 -39.22 66.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.046 1.339 . . . . 0.0 112.026 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.0 -45.67 96.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 125.114 1.365 . . . . 0.0 110.866 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.45 -61.07 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.189 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -48.81 -32.96 9.55 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.126 0.97 . . . . 0.0 112.725 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -84.95 -61.82 1.69 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.778 0.831 . . . . 0.0 113.127 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.58 -57.11 5.6 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.0 p -42.76 -37.38 1.75 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -67.1 -48.54 67.85 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.091 0.556 . . . . 0.0 111.721 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 75.2 p -78.09 -47.58 17.96 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.229 1.012 . . . . 0.0 113.403 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 100.0 p -92.68 162.5 14.13 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 125.161 1.384 . . . . 0.0 113.244 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 31.7 p -58.59 -66.94 0.41 Allowed 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.618 1.167 . . . . 0.0 108.102 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -11.14 97.62 0.01 OUTLIER 'General case' 0 C--N 1.345 0.392 0 C-N-CA 129.185 2.994 . . . . 0.0 113.847 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 59.7 p -61.41 159.07 34.0 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 124.604 1.162 . . . . 0.0 110.125 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -44.24 -37.1 9.77 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 124.52 3.48 . . . . 0.0 114.666 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -66.99 -44.04 81.42 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.455 0.702 . . . . 0.0 110.139 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.617 ' O ' ' HG3' ' B' ' 47' ' ' MET . 76.9 m -67.78 -21.95 65.22 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.545 1.538 . . . . 0.0 112.536 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.6 mm -65.98 -42.05 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 118.667 0.667 . . . . 0.0 110.448 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -49.6 -48.03 49.16 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.006 1.323 . . . . 0.0 113.164 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -68.25 -36.95 80.25 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.5 -1.238 . . . . 0.0 112.841 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.617 ' HG3' ' O ' ' B' ' 43' ' ' THR . 9.9 mtm -45.85 -26.58 0.7 Allowed 'General case' 0 C--N 1.344 0.343 0 C-N-CA 126.388 1.875 . . . . 0.0 114.758 -172.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.609 HD13 ' CE2' ' B' ' 68' ' ' TYR . 70.4 mt -85.72 -55.63 3.88 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 126.213 1.805 . . . . 0.0 108.479 178.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.07 -17.93 59.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.033 2.133 . . . . 0.0 112.951 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 -55.36 -60.81 2.89 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 119.462 1.028 . . . . 0.0 108.493 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -50.58 -54.34 23.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.134 1.773 . . . . 0.0 111.18 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 19.4 mt -48.39 -35.61 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.718 1.607 . . . . 0.0 113.008 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -55.43 -46.35 76.69 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.323 0.511 . . . . 0.0 111.156 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -92.73 -17.93 23.6 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.42 0.688 . . . . 0.0 110.533 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.69 20.09 12.34 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 117.514 -1.715 . . . . 0.0 114.523 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.49 -7.68 49.07 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.765 2.283 . . . . 0.0 112.994 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.1 mt -151.12 164.55 36.25 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.02 2.528 . . . . 0.0 106.93 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -142.12 124.57 15.71 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 117.425 -1.274 . . . . 0.0 110.423 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -93.85 149.24 21.4 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 120.736 1.607 . . . . 0.0 111.845 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -147.12 144.63 29.16 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 125.17 1.388 . . . . 0.0 108.56 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -83.0 97.98 9.02 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -86.97 79.14 8.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.686 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 58.78 -88.38 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 C-N-CA 125.127 1.346 . . . . 0.0 112.804 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -67.59 -61.71 1.76 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.184 0.993 . . . . 0.0 111.161 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 p -133.11 158.49 43.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 C-N-CA 123.896 0.878 . . . . 0.0 112.234 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.29 134.07 35.26 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 125.64 1.576 . . . . 0.0 108.698 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 40.1 t -125.94 139.69 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 113.823 -1.535 . . . . 0.0 108.755 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' TYR . . . . . 0.609 ' CE2' HD13 ' B' ' 48' ' ' LEU . 0.9 OUTLIER -93.96 120.56 34.39 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 103.935 -2.617 . . . . 0.0 103.935 -178.146 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 33.8 p -96.07 127.83 39.34 Favored Pre-proline 0 C--N 1.342 0.239 0 C-N-CA 125.03 1.332 . . . . 0.0 112.093 -173.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -56.56 96.7 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.768 2.979 . . . . 0.0 113.044 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -64.16 -33.89 76.81 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.03 0.932 . . . . 0.0 109.582 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 10.2 pt . . . . . 0 CA--C 1.533 0.318 0 C-N-CA 126.676 1.99 . . . . 0.0 106.52 178.21 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo . . . . . 0 N--CA 1.454 -0.805 0 N-CA-C 109.873 -0.856 . . . . 0.0 109.873 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -72.24 102.46 3.09 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -80.79 117.87 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 30.7 m -100.13 179.99 4.31 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.543 1.537 . . . . 0.0 108.283 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.86 -52.91 63.44 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -22.2 66.96 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.18 0.992 . . . . 0.0 113.349 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -73.2 -54.82 7.48 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.794 0.725 . . . . 0.0 110.075 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -56.64 -36.75 69.87 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.287 0.635 . . . . 0.0 111.809 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.57 -47.54 79.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.669 0.788 . . . . 0.0 110.891 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 m -73.2 -51.37 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 118.47 -0.776 . . . . 0.0 110.278 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 6.4 mmt -46.72 -36.98 7.75 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.421 1.088 . . . . 0.0 112.447 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -56.1 -52.48 64.14 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.472 1.109 . . . . 0.0 110.098 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.66 -40.0 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.466 0.707 . . . . 0.0 110.397 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mt -64.47 -44.15 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 122.508 0.323 . . . . 0.0 110.145 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -72.5 -24.24 61.14 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.833 0.853 . . . . 0.0 111.319 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -64.31 -45.46 87.83 Favored 'General case' 0 C--N 1.345 0.37 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -77.68 158.7 29.57 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.961 1.304 . . . . 0.0 107.635 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.4 p -58.72 -58.89 6.6 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -129.35 -154.12 0.61 Allowed 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 101.929 -3.36 . . . . 0.0 101.929 164.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.378 9.4 tt -150.4 152.05 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 121.85 2.113 . . . . 0.0 112.922 173.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -112.42 133.36 54.54 Favored 'General case' 0 N--CA 1.441 -0.883 1 N-CA-C 98.986 -4.45 . . . . 0.0 98.986 175.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 36.4 m -42.74 -26.98 0.15 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.533 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 0.1 OUTLIER -62.33 -44.49 96.36 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 120.521 1.51 . . . . 0.0 111.841 177.145 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -67.5 -41.83 83.84 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -57.15 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 118.675 -0.679 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 32.5 mt -59.29 -46.43 92.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 118.652 0.66 . . . . 0.0 110.344 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 0.8 OUTLIER -54.41 -39.22 67.09 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.358 0.663 . . . . 0.0 111.644 177.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.66 -61.87 1.86 Allowed 'General case' 0 C--N 1.342 0.281 0 CA-C-N 118.871 0.76 . . . . 0.0 112.29 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 mp -52.66 -40.99 63.39 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 127.178 2.191 . . . . 0.0 112.571 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -66.82 -39.73 87.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.516 0.726 . . . . 0.0 112.056 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -73.03 -44.42 60.87 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.241 0.616 . . . . 0.0 111.215 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p -73.43 -62.21 1.56 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.641 0.776 . . . . 0.0 111.741 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 16.1 t -92.84 162.18 14.2 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.693 1.197 . . . . 0.0 111.508 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 62.1 m -55.5 -60.75 2.99 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.909 1.284 . . . . 0.0 110.12 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -15.85 118.47 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 128.988 2.915 . . . . 0.0 115.582 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 58.4 p -77.76 174.59 5.7 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.805 1.242 . . . . 0.0 109.55 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -51.48 -39.71 64.13 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 123.368 2.712 . . . . 0.0 113.065 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -67.94 -52.32 37.41 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.604 0.762 . . . . 0.0 110.035 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 15.9 m -51.58 -30.75 22.07 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.11 1.764 . . . . 0.0 113.22 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.3 mt -77.17 -46.49 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 125.051 1.341 . . . . 0.0 112.32 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -48.8 -31.09 6.48 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.528 HG23 ' N ' ' B' ' 47' ' ' MET . 11.4 t -64.11 -54.79 28.46 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.528 ' N ' HG23 ' B' ' 46' ' ' THR . 68.4 mtm -51.4 -52.52 45.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.573 1.149 . . . . 0.0 108.997 -176.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.2 mt -53.68 -53.22 55.13 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.363 1.465 . . . . 0.0 111.315 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.14 -45.31 85.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.424 1.09 . . . . 0.0 112.541 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -68.06 -44.23 76.83 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 123.438 0.695 . . . . 0.0 111.835 -176.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.616 ' HB3' ' HB3' ' B' ' 56' ' ' ALA . 5.3 mp -52.27 -45.54 65.49 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 172.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.551 HD13 ' CD2' ' B' ' 59' ' ' HIS . 59.5 mt -62.29 -43.12 97.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.667 0.667 . . . . 0.0 111.237 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.96 -40.14 94.57 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.607 0.763 . . . . 0.0 110.686 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -89.18 -7.1 56.28 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.817 1.247 . . . . 0.0 113.558 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.33 -9.18 45.41 Favored Glycine 0 CA--C 1.535 1.324 0 N-CA-C 117.961 1.945 . . . . 0.0 117.961 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.616 ' HB3' ' HB3' ' B' ' 51' ' ' LEU . . . -56.33 -60.78 3.02 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 121.437 2.618 . . . . 0.0 113.235 178.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 mp -109.27 167.3 10.21 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.365 1.866 . . . . 0.0 112.743 -175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -140.76 118.67 11.81 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.958 0.903 . . . . 0.0 111.84 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . 0.551 ' CD2' HD13 ' B' ' 52' ' ' ILE . 0.2 OUTLIER -94.17 135.43 35.56 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.449 1.022 . . . . 0.0 111.737 177.454 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -147.2 142.14 26.96 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.091 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -83.91 115.41 22.28 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.355 1.062 . . . . 0.0 109.687 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -119.21 109.18 15.55 Favored 'General case' 0 C--N 1.343 0.326 0 C-N-CA 124.768 1.227 . . . . 0.0 112.319 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 50.96 -92.4 0.01 OUTLIER Glycine 0 C--N 1.341 0.813 0 C-N-CA 125.48 1.514 . . . . 0.0 113.593 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -67.99 -84.12 0.03 OUTLIER 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.94 0.896 . . . . 0.0 110.196 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 28.1 m -123.71 173.63 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' B' ' 66' ' ' PHE . 0.0 OUTLIER -80.79 153.88 27.49 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -173.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 45.3 t -118.47 135.66 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 114.286 -1.325 . . . . 0.0 111.361 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.302 10.0 m-85 -94.37 121.35 35.8 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 173.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 66.9 p -117.2 123.57 29.92 Favored Pre-proline 0 CA--C 1.532 0.254 0 C-N-CA 123.737 0.815 . . . . 0.0 111.432 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -59.83 107.22 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 124.082 3.188 . . . . 0.0 110.469 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -74.34 -7.6 53.39 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.202 0.601 . . . . 0.0 111.782 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.393 0 C-N-CA 125.329 1.451 . . . . 0.0 110.124 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo . . . . . 0 N--CA 1.463 -0.319 0 N-CA-C 112.919 0.315 . . . . 0.0 112.919 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -78.29 81.75 4.63 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 58.4 mt -80.83 143.02 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.838 0.855 . . . . 0.0 110.88 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 96.6 p -139.54 -165.46 1.87 Allowed 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 127.025 2.13 . . . . 0.0 106.898 178.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -61.13 -47.87 84.28 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.01 82.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.028 0.931 . . . . 0.0 113.101 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -69.65 -46.48 66.06 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.323 0.51 . . . . 0.0 109.671 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' B' ' 16' ' ' LYS . 19.7 tp -61.11 -31.57 71.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.97 -43.98 98.0 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.071 0.85 . . . . 0.0 109.003 176.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -67.87 -60.36 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 124.471 1.108 . . . . 0.0 110.095 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 18.1 mmm -53.2 -41.56 65.4 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 125.035 1.334 . . . . 0.0 111.392 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' B' ' 12' ' ' LEU . 66.0 tttp -55.42 -50.64 69.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.607 1.563 . . . . 0.0 110.982 177.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.6 t -63.04 -48.77 86.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.339 0 C-N-CA 123.351 0.66 . . . . 0.0 110.279 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.8 mt -58.93 -41.81 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.978 0.911 . . . . 0.0 112.015 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -64.77 -17.64 64.36 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -71.0 -50.15 37.35 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.212 0.915 . . . . 0.0 108.746 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.427 ' CG ' ' O ' ' B' ' 23' ' ' SER . 6.3 t-160 -72.39 153.26 41.54 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.904 1.682 . . . . 0.0 109.679 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . 0.421 ' H ' ' HD2' ' B' ' 21' ' ' HIS . 36.0 p -57.34 -58.42 8.34 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' B' ' 21' ' ' HIS . 37.1 m -128.42 -155.31 0.69 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 101.884 -3.376 . . . . 0.0 101.884 165.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.315 6.8 tt -151.54 139.38 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 122.608 2.458 . . . . 0.0 112.111 172.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -95.79 134.16 39.07 Favored 'General case' 0 N--CA 1.432 -1.356 0 N-CA-C 100.338 -3.949 . . . . 0.0 100.338 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.77 -34.61 0.95 Allowed 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 127.349 2.26 . . . . 0.0 112.876 -176.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 0.1 OUTLIER -56.48 -43.43 79.62 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.428 1.013 . . . . 0.0 111.847 178.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -67.96 -36.48 80.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 118.187 0.449 . . . . 0.0 110.802 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.87 -56.97 14.2 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 C-N-CA 123.612 0.765 . . . . 0.0 108.97 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.471 HD11 ' CG ' ' B' ' 45' ' ' GLN . 15.5 mt -61.53 -51.46 72.55 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 26.1 tptp -46.5 -40.73 13.01 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.29 0.636 . . . . 0.0 112.237 177.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -84.83 -61.73 1.71 Allowed 'General case' 0 C--N 1.344 0.339 0 C-N-CA 123.718 0.807 . . . . 0.0 112.671 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.29 -46.78 79.6 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.769 0.828 . . . . 0.0 113.201 -177.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 16.8 t -55.28 -34.11 63.81 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -72.73 -46.82 51.55 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.896 0.478 . . . . 0.0 110.99 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 65.0 p -71.4 -57.59 4.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.956 0.903 . . . . 0.0 112.289 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 88.7 p -92.83 162.13 14.23 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.886 1.274 . . . . 0.0 112.064 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 63.3 p -66.12 -48.38 71.05 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.479 1.111 . . . . 0.0 110.419 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -22.54 123.14 0.03 OUTLIER 'General case' 0 C--N 1.343 0.302 0 C-N-CA 129.293 3.037 . . . . 0.0 114.268 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 96.0 p -72.05 166.11 43.96 Favored Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 124.165 0.986 . . . . 0.0 109.962 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.16 -42.66 58.22 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.134 2.556 . . . . 0.0 110.807 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -58.65 -49.26 78.17 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.886 1.275 . . . . 0.0 110.567 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.525 ' O ' ' HG3' ' B' ' 47' ' ' MET . 82.1 m -60.17 -44.49 94.99 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 123.527 0.731 . . . . 0.0 110.784 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.91 -64.59 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-O 119.069 -0.491 . . . . 0.0 109.901 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . 0.471 ' CG ' HD11 ' B' ' 30' ' ' ILE . 21.9 mt-30 -45.03 -34.9 2.7 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.482 1.513 . . . . 0.0 114.733 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 92.1 m -77.51 -31.52 53.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.525 ' HG3' ' O ' ' B' ' 43' ' ' THR . 89.9 mtp -54.5 -51.35 65.39 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.606 HD12 ' CD2' ' B' ' 68' ' ' TYR . 1.0 OUTLIER -57.11 -50.92 71.29 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 124.951 1.301 . . . . 0.0 111.385 177.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.95 -45.38 71.28 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.987 0.915 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -68.59 -49.16 61.45 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.779 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.27 -49.68 17.07 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.139 0.976 . . . . 0.0 109.483 172.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.95 -44.27 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.758 0.823 . . . . 0.0 111.572 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -60.95 -38.39 85.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.598 0.759 . . . . 0.0 110.528 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -83.76 -17.39 41.31 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.768 1.227 . . . . 0.0 111.765 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.19 0.23 41.08 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 117.273 -1.848 . . . . 0.0 116.928 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.92 -51.56 68.74 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 121.198 2.499 . . . . 0.0 112.208 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mp -116.72 167.35 11.16 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.614 1.966 . . . . 0.0 112.211 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -140.53 128.03 21.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.378 1.071 . . . . 0.0 109.554 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.25 148.65 22.0 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 119.016 0.825 . . . . 0.0 112.743 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -146.19 119.11 8.72 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.466 1.106 . . . . 0.0 110.029 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -83.12 96.83 8.52 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.46 94.89 9.33 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.456 1.902 . . . . 0.0 112.914 -175.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.46 -89.45 0.01 OUTLIER Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.853 1.216 . . . . 0.0 112.839 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -64.28 -79.79 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.024 0.93 . . . . 0.0 109.905 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 32.8 m -133.93 173.6 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.949 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.521 ' C ' ' CD1' ' B' ' 66' ' ' PHE . 0.0 OUTLIER -81.31 154.09 26.72 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 118.617 2.821 . . . . 0.0 118.617 -172.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 1.7 m -125.58 139.32 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.757 0 C-N-CA 126.167 1.787 . . . . 0.0 110.147 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' TYR . . . . . 0.606 ' CD2' HD12 ' B' ' 48' ' ' LEU 0.264 4.9 m-85 -94.36 121.22 35.67 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 105.811 -1.922 . . . . 0.0 105.811 179.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 74.9 p -101.16 110.16 60.52 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 126.409 1.884 . . . . 0.0 108.904 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -58.04 109.66 0.52 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.538 2.825 . . . . 0.0 111.589 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -72.62 -12.83 61.2 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.553 0.741 . . . . 0.0 111.769 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.343 0.318 0 C-N-CA 126.2 1.8 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo . . . . . 0 N--CA 1.456 -0.734 0 N-CA-C 113.146 0.402 . . . . 0.0 113.146 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -78.52 81.19 4.87 Favored 'General case' 0 C--N 1.341 0.198 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 61.7 mt -80.65 144.28 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 124.08 0.952 . . . . 0.0 111.349 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 83.3 p -137.02 -166.6 1.94 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.595 2.358 . . . . 0.0 106.421 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.28 -47.06 86.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -45.22 88.65 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.502 1.121 . . . . 0.0 113.71 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' B' ' 15' ' ' MET . 15.3 tt0 -65.31 -51.88 57.7 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.479 0.581 . . . . 0.0 110.548 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -62.9 -38.49 91.14 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.06 0.944 . . . . 0.0 111.406 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -54.05 -35.94 62.53 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 118.976 0.807 . . . . 0.0 111.311 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.84 -58.75 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 4.7 mtt -46.1 -43.57 14.86 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.297 1.439 . . . . 0.0 111.52 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -48.7 -48.12 40.48 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.316 1.846 . . . . 0.0 110.857 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.0 t -69.93 -47.18 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 118.755 0.707 . . . . 0.0 110.285 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.6 mt -57.37 -43.02 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.834 1.254 . . . . 0.0 112.775 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -62.44 -25.17 67.82 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -68.91 -45.16 71.6 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -73.27 154.63 40.1 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.612 1.565 . . . . 0.0 109.279 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 45.7 t -60.45 -58.84 6.76 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 54.6 m -128.81 -154.8 0.66 Allowed 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 101.618 -3.475 . . . . 0.0 101.618 165.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.343 14.5 tt -150.87 134.23 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 122.73 2.514 . . . . 0.0 112.439 172.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -93.0 134.29 35.28 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 101.652 -3.462 . . . . 0.0 101.652 175.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.98 -31.03 0.46 Allowed 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -176.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -41.73 80.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 121.374 1.897 . . . . 0.0 111.728 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -71.48 -38.92 71.18 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 123.32 0.648 . . . . 0.0 111.293 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -55.11 20.29 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.552 HD11 ' CG ' ' B' ' 45' ' ' GLN . 25.3 mt -57.78 -58.38 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 124.027 0.931 . . . . 0.0 108.703 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -43.4 -48.92 7.16 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.9 0.75 . . . . 0.0 112.957 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -74.8 -60.04 2.46 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.5 -27.7 67.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 92.3 p -69.86 -31.78 69.8 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.179 0.899 . . . . 0.0 110.806 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -67.74 -47.17 70.02 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.302 1.041 . . . . 0.0 110.495 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -81.07 -61.17 2.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.181 1.393 . . . . 0.0 112.092 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 38.2 m -92.79 162.15 14.24 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 124.837 1.255 . . . . 0.0 111.182 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 41.8 p -62.05 -63.89 1.11 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.207 1.003 . . . . 0.0 110.165 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -2.49 111.45 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 130.213 3.405 . . . . 0.0 115.184 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 89.4 p -69.66 170.35 9.83 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 124.437 1.095 . . . . 0.0 110.241 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -52.48 -47.81 25.12 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.996 2.464 . . . . 0.0 111.031 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -53.17 -50.78 63.91 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.919 1.288 . . . . 0.0 110.129 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.47 ' O ' ' HG3' ' B' ' 47' ' ' MET . 93.1 m -59.88 -53.92 52.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.668 0.787 . . . . 0.0 111.001 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -54.42 -64.79 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.42 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . 0.552 ' CG ' HD11 ' B' ' 30' ' ' ILE . 20.4 mt-30 -46.64 -30.78 2.48 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.458 1.103 . . . . 0.0 113.875 -178.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 59.6 m -86.85 -25.49 24.49 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.651 1.18 . . . . 0.0 113.686 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.47 ' HG3' ' O ' ' B' ' 43' ' ' THR . 95.1 mtp -54.52 -48.2 72.22 Favored 'General case' 0 C--N 1.341 0.227 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 176.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -40.64 75.85 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 127.147 2.179 . . . . 0.0 112.995 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 tp -44.99 -46.26 11.05 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.969 1.307 . . . . 0.0 114.486 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 9.6 mmp_? -71.28 -39.81 71.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.603 0.638 . . . . 0.0 110.342 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.465 ' HG ' ' HB3' ' B' ' 56' ' ' ALA . 9.5 mp -56.24 -33.24 65.22 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.51 0.724 . . . . 0.0 109.212 174.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.504 HD13 ' CD2' ' B' ' 59' ' ' HIS . 68.3 mt -69.31 -46.98 75.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 121.315 -0.865 . . . . 0.0 110.343 175.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.79 -46.81 80.48 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -91.13 -17.61 25.85 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.825 0.85 . . . . 0.0 112.193 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.51 23.04 9.77 Favored Glycine 0 CA--C 1.531 1.089 0 N-CA-C 120.641 3.017 . . . . 0.0 120.641 172.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.465 ' HB3' ' HG ' ' B' ' 51' ' ' LEU . . . -71.54 -47.01 57.91 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 123.562 3.681 . . . . 0.0 109.553 175.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 mp -127.27 162.0 27.25 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.152 2.181 . . . . 0.0 108.926 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -141.29 149.67 41.55 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 124.148 0.979 . . . . 0.0 110.882 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . 0.504 ' CD2' HD13 ' B' ' 52' ' ' ILE . 0.2 OUTLIER -93.7 148.42 22.13 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 119.011 0.823 . . . . 0.0 112.095 179.234 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -142.57 115.06 8.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.992 1.317 . . . . 0.0 110.173 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -83.42 98.18 9.36 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.398 1.079 . . . . 0.0 110.694 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -86.75 138.3 31.73 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.958 2.103 . . . . 0.0 108.14 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -23.5 -48.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 C-N-CA 127.733 2.587 . . . . 0.0 114.883 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -66.36 -85.83 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 30.7 m -143.11 173.26 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.373 0 N-CA-C 102.712 -3.069 . . . . 0.0 102.712 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.94 153.71 27.38 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -174.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 m -123.11 139.5 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.157 0 C-N-CA 125.462 1.505 . . . . 0.0 109.475 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.25 18.8 m-85 -94.7 121.35 36.19 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 61.1 p -103.28 120.61 51.46 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 125.921 1.688 . . . . 0.0 112.198 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -62.98 113.41 2.0 Allowed 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 123.112 2.541 . . . . 0.0 110.724 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -77.97 -14.17 59.62 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.391 0.677 . . . . 0.0 111.348 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.345 0.395 0 C-N-CA 124.71 1.204 . . . . 0.0 109.671 178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 110.191 -0.734 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -77.92 84.58 4.2 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.556 0.742 . . . . 0.0 109.28 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.7 mt -80.37 139.59 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.57 1.148 . . . . 0.0 111.214 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.7 p -129.55 -167.75 1.84 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 127.564 2.346 . . . . 0.0 106.699 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -62.46 -51.52 67.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.69 -39.43 68.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.511 1.124 . . . . 0.0 113.468 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.72 -45.88 64.11 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 118.299 0.5 . . . . 0.0 110.516 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.65 -41.96 99.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.963 0.505 . . . . 0.0 110.215 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.01 -47.07 68.59 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 123.608 0.763 . . . . 0.0 112.923 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -71.46 -47.09 60.65 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 118.614 0.643 . . . . 0.0 111.959 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mmt -46.78 -38.64 10.43 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.954 1.302 . . . . 0.0 112.743 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -59.95 -42.83 94.92 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.766 0.826 . . . . 0.0 111.85 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.41 -37.11 79.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.332 0 CA-C-N 118.853 0.752 . . . . 0.0 109.771 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . 0.469 HG23 HG22 ' B' ' 24' ' ' ILE . 3.5 mt -67.54 -44.85 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.199 0.599 . . . . 0.0 109.451 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -70.92 -23.89 62.35 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.015 0.926 . . . . 0.0 111.76 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -65.7 -47.81 74.12 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -76.22 163.66 26.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.055 1.342 . . . . 0.0 107.988 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -61.5 -59.27 5.49 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -129.74 -154.74 0.65 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 102.449 -3.167 . . . . 0.0 102.449 164.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.469 HG22 HG23 ' B' ' 18' ' ' ILE 0.374 8.0 tt -150.99 152.07 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 122.207 2.276 . . . . 0.0 113.187 173.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -111.26 145.01 39.52 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 101.968 -3.345 . . . . 0.0 101.968 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -43.14 -32.98 0.8 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -45.32 89.82 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 121.166 1.803 . . . . 0.0 111.141 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -68.05 -39.04 83.12 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 119.278 -0.391 . . . . 0.0 110.06 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -58.05 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.1 mt -59.19 -52.56 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.705 0.802 . . . . 0.0 109.67 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -45.55 -41.94 10.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.563 0.745 . . . . 0.0 112.533 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.89 -57.64 3.55 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.093 0.957 . . . . 0.0 112.669 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.86 -54.68 41.58 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 126.319 1.848 . . . . 0.0 111.634 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.1 p -57.98 -31.05 66.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.387 0.675 . . . . 0.0 112.663 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -66.12 -49.28 68.04 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.951 0.9 . . . . 0.0 109.785 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -77.7 -61.6 1.94 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.274 1.43 . . . . 0.0 112.729 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 93.9 p -92.7 162.28 14.21 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.208 1.403 . . . . 0.0 112.113 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 87.4 m -59.26 -63.68 1.22 Allowed 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.423 1.089 . . . . 0.0 109.211 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -4.16 111.93 0.01 OUTLIER 'General case' 0 C--N 1.345 0.397 0 C-N-CA 129.564 3.146 . . . . 0.0 115.141 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 95.6 p -65.99 167.33 12.12 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 124.561 1.144 . . . . 0.0 110.312 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -50.14 -37.56 48.71 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 123.42 2.747 . . . . 0.0 112.038 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -66.63 -51.57 54.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.176 0.99 . . . . 0.0 110.54 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 62.0 m -56.6 -22.39 33.46 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.437 1.495 . . . . 0.0 112.196 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 71.1 mt -83.56 -49.92 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 123.995 0.918 . . . . 0.0 109.105 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -60.77 -33.48 73.03 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.116 1.366 . . . . 0.0 113.386 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 13.5 t -68.26 -41.25 81.35 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.417 ' O ' HD13 ' B' ' 51' ' ' LEU . 53.2 mtt -53.65 -59.46 4.58 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.405 HD13 ' CZ ' ' B' ' 68' ' ' TYR . 18.5 mt -52.41 -40.51 62.22 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 127.859 2.464 . . . . 0.0 111.084 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.41 -49.79 74.11 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.396 0.678 . . . . 0.0 110.578 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -70.93 -38.47 72.9 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.498 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.432 ' HB3' ' HB3' ' B' ' 56' ' ' ALA . 6.6 mp -52.74 -49.3 65.73 Favored 'General case' 0 N--CA 1.423 -1.786 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 173.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . 0.454 HD13 ' CD2' ' B' ' 59' ' ' HIS . 92.3 mt -62.93 -38.7 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 118.546 0.612 . . . . 0.0 112.525 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -64.58 -46.47 82.58 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.501 0.591 . . . . 0.0 111.347 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -84.87 -12.77 52.78 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.403 1.081 . . . . 0.0 113.163 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.51 7.36 37.15 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 116.349 -2.362 . . . . 0.0 118.675 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' B' ' 51' ' ' LEU . . . -58.3 -55.09 39.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 122.445 3.123 . . . . 0.0 111.346 175.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.1 167.28 12.37 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.526 2.331 . . . . 0.0 112.163 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -140.89 127.33 19.95 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.541 1.136 . . . . 0.0 109.961 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . 0.454 ' CD2' HD13 ' B' ' 52' ' ' ILE . 0.4 OUTLIER -94.41 145.37 24.82 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.448 1.022 . . . . 0.0 113.377 179.198 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -146.64 133.29 19.89 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.865 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -82.94 98.92 9.47 Favored 'General case' 0 C--N 1.344 0.335 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -86.81 80.93 8.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.778 1.631 . . . . 0.0 111.997 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.16 -84.67 0.05 OUTLIER Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.447 1.022 . . . . 0.0 112.716 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -65.42 -78.39 0.05 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.779 0.832 . . . . 0.0 109.788 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.89 174.18 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 N-CA-C 104.112 -2.551 . . . . 0.0 104.112 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.66 154.13 27.52 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 118.605 2.817 . . . . 0.0 118.605 -172.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -119.81 134.88 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 CA-C-N 111.77 -2.468 . . . . 0.0 109.733 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' TYR . . . . . 0.405 ' CZ ' HD13 ' B' ' 48' ' ' LEU 0.314 33.2 m-85 -94.28 127.17 39.99 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 176.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 71.4 p -114.34 117.09 43.59 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 123.608 0.763 . . . . 0.0 112.089 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -62.21 105.43 0.4 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 124.28 3.32 . . . . 0.0 111.182 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -75.68 -10.39 59.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.534 0.734 . . . . 0.0 112.168 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.343 0.317 0 C-N-CA 125.564 1.546 . . . . 0.0 110.971 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 N--CA 1.456 -0.699 0 CA-C-O 120.819 0.258 . . . . 0.0 111.516 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.89 104.15 2.85 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.176 0.99 . . . . 0.0 108.65 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 mm -121.4 151.69 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 125.248 1.419 . . . . 0.0 108.896 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -144.27 -178.06 5.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 126.907 2.083 . . . . 0.0 107.555 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.05 -45.13 93.65 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.2 96.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.375 1.07 . . . . 0.0 111.847 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -75.07 -26.75 59.58 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.053 0.541 . . . . 0.0 110.594 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.95 -36.9 84.62 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -56.72 -40.03 74.97 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.193 0.597 . . . . 0.0 111.225 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.5 m -76.71 -41.17 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 122.62 0.368 . . . . 0.0 110.665 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.432 ' HB3' ' CZ3' ' B' ' 19' ' ' TRP . 0.3 OUTLIER -58.02 -37.17 73.82 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.737 0.815 . . . . 0.0 110.368 177.426 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.6 -45.47 85.25 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.459 1.104 . . . . 0.0 110.001 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.623 ' O ' ' HD2' ' B' ' 21' ' ' HIS . 1.5 t -62.32 -39.01 82.61 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 C-N-CA 123.755 0.822 . . . . 0.0 110.161 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.31 -49.63 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . 0.432 ' CZ3' ' HB3' ' B' ' 15' ' ' MET . 7.7 m0 -68.23 -24.32 64.9 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.837 -0.601 . . . . 0.0 112.445 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -65.3 -46.02 82.06 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.623 ' HD2' ' O ' ' B' ' 17' ' ' VAL . 62.6 m-70 -76.54 158.41 31.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.991 1.316 . . . . 0.0 109.052 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -59.34 -58.97 6.28 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 65.9 p -129.23 -154.77 0.66 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 164.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.341 8.9 tt -151.0 152.35 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 120.803 1.638 . . . . 0.0 110.555 172.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -107.24 143.78 34.98 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 101.374 -3.565 . . . . 0.0 101.374 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.549 HG23 ' CE2' ' B' ' 68' ' ' TYR . 0.2 OUTLIER -42.63 -34.24 0.85 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.764 2.826 . . . . 0.0 112.31 -178.223 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -56.48 6.77 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.763 1.62 . . . . 0.0 109.291 174.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -51.61 -33.52 33.31 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.482 0.713 . . . . 0.0 111.05 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -59.73 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.6 mt -59.02 -52.17 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 118.814 0.734 . . . . 0.0 110.829 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -46.29 -53.4 10.82 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.155 0.982 . . . . 0.0 113.183 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.43 -56.31 13.17 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.461 0.573 . . . . 0.0 112.28 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.404 HD23 HG23 ' B' ' 44' ' ' ILE . 7.3 mp -53.82 -40.99 66.86 Favored 'General case' 0 N--CA 1.432 -1.36 0 C-N-CA 126.948 2.099 . . . . 0.0 111.951 -178.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 96.9 p -69.28 -35.26 75.85 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.019 0.928 . . . . 0.0 112.522 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -72.42 -46.57 54.55 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.193 0.597 . . . . 0.0 110.624 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 51.4 p -70.83 -63.48 1.09 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.253 1.021 . . . . 0.0 111.864 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -92.9 162.73 13.96 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.222 1.409 . . . . 0.0 111.698 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 44.2 p -66.83 -106.66 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.992 1.317 . . . . 0.0 109.428 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 15.3 m0 56.45 -131.05 1.71 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.399 1.0 . . . . 0.0 111.181 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 27.8 t 177.02 156.01 0.44 Allowed Pre-proline 0 CA--C 1.534 0.364 0 C-N-CA 126.739 2.016 . . . . 0.0 106.9 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -49.08 -36.49 35.82 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.08 2.52 . . . . 0.0 112.491 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -77.29 -36.47 54.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.409 1.083 . . . . 0.0 111.396 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 42.3 m -64.32 -49.31 72.24 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 123.145 0.578 . . . . 0.0 110.645 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.404 HG23 HD23 ' B' ' 33' ' ' LEU . 30.6 mt -45.94 -38.86 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 125.337 1.455 . . . . 0.0 112.308 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -52.79 -37.41 59.68 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.253 1.021 . . . . 0.0 113.511 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -68.69 -42.63 77.52 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.612 1.096 . . . . 0.0 112.066 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 56.7 mtt -57.73 -46.5 84.35 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.96 -36.92 80.67 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.428 0.691 . . . . 0.0 109.346 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' B' ' 53' ' ' LYS . 0.9 OUTLIER -73.91 -29.5 62.08 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.911 0.778 . . . . 0.0 112.942 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -59.8 -43.75 94.31 Favored 'General case' 0 C--N 1.342 0.281 0 CA-C-N 120.372 1.442 . . . . 0.0 107.991 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' B' ' 56' ' ' ALA . 3.4 mp -66.03 -65.51 0.67 Allowed 'General case' 0 N--CA 1.427 -1.587 0 C-N-CA 128.952 2.901 . . . . 0.0 110.614 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.78 -19.96 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 126.796 2.038 . . . . 0.0 112.912 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' B' ' 49' ' ' LEU . 26.9 ttpp -55.0 -39.3 68.91 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -105.4 -2.81 23.37 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.083 1.353 . . . . 0.0 111.25 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.54 32.06 8.42 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-O 117.484 -1.731 . . . . 0.0 113.245 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.574 ' HB3' ' HB3' ' B' ' 51' ' ' LEU . . . -48.36 -43.4 33.52 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.326 1.563 . . . . 0.0 114.374 -172.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.75 153.02 24.06 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -90.01 129.46 36.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -94.19 129.17 40.9 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.434 1.494 . . . . 0.0 109.123 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -146.2 110.97 5.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 123.449 0.468 . . . . 0.0 110.191 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.44 ' HA ' ' CB ' ' B' ' 66' ' ' PHE . 42.6 pttt -80.04 93.03 5.68 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 124.124 1.916 . . . . 0.0 106.955 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -99.24 137.38 37.83 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 110.942 -2.845 . . . . 0.0 110.855 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 15.21 -77.22 0.0 OUTLIER Glycine 0 C--N 1.344 1.011 0 C-N-CA 129.18 3.276 . . . . 0.0 115.396 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -69.78 -82.19 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.478 0.711 . . . . 0.0 111.262 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -135.38 168.59 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.44 ' CB ' ' HA ' ' B' ' 61' ' ' LYS . 0.0 OUTLIER -81.6 145.1 30.8 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 120.494 1.497 . . . . 0.0 113.889 -172.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.49 139.46 24.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 127.693 2.397 . . . . 0.0 111.982 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' TYR . . . . . 0.549 ' CE2' HG23 ' B' ' 26' ' ' THR . 30.8 m-85 -97.11 131.09 44.22 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 176.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 72.7 p -131.56 125.19 20.48 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 123.526 0.73 . . . . 0.0 109.625 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -48.63 96.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 124.734 3.622 . . . . 0.0 114.382 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -73.96 -17.83 60.96 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.67 0.788 . . . . 0.0 110.171 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . 0.405 ' H ' ' CD1' ' B' ' 72' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.344 0.346 0 C-N-CA 126.43 1.892 . . . . 0.0 110.127 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo . . . . . 0 N--CA 1.458 -0.594 0 N-CA-C 112.873 0.297 . . . . 0.0 112.873 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -81.75 93.38 6.8 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.943 0.897 . . . . 0.0 109.095 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mm -80.86 141.64 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.783 1.233 . . . . 0.0 108.742 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -123.72 176.04 6.5 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.393 1.877 . . . . 0.0 107.39 177.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.24 -48.59 80.79 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.26 74.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.861 0.864 . . . . 0.0 111.227 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -67.69 -60.19 2.74 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -49.95 -38.68 37.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.06 1.344 . . . . 0.0 112.102 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -62.01 -47.83 83.0 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.873 0.76 . . . . 0.0 110.794 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 51.4 t -67.88 -57.09 10.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 C-N-CA 124.145 0.978 . . . . 0.0 109.387 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.446 ' HB3' ' CZ3' ' B' ' 19' ' ' TRP . 79.7 mmm -48.05 -42.62 28.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.562 1.545 . . . . 0.0 111.685 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -62.82 -43.33 99.09 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 125.635 1.574 . . . . 0.0 109.915 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 t -65.03 -36.76 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.181 0.593 . . . . 0.0 109.435 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -69.36 -42.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . 0.446 ' CZ3' ' HB3' ' B' ' 15' ' ' MET . 8.0 m0 -66.28 -24.61 66.59 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 126.668 1.987 . . . . 0.0 111.134 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -69.63 -47.46 63.34 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.91 164.25 26.93 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.98 1.312 . . . . 0.0 107.715 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.3 p -64.94 -60.41 3.09 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 105.556 -2.016 . . . . 0.0 105.556 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 72.3 m -130.87 -155.58 0.7 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 103.375 -2.824 . . . . 0.0 103.375 160.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.29 9.2 tt -151.53 151.54 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 121.527 1.967 . . . . 0.0 112.567 174.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -99.2 178.32 4.94 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 104.413 -2.44 . . . . 0.0 104.413 172.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.1 m -63.66 -56.04 18.79 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' B' ' 31' ' ' LYS . 2.9 m120 -69.26 -16.69 63.64 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 117.295 -1.762 . . . . 0.0 114.34 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -72.66 -43.4 63.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.66 -54.24 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-O 118.902 -0.571 . . . . 0.0 109.742 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.4 mt -54.17 -54.71 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 118.579 0.627 . . . . 0.0 109.948 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 17.1 tppt? -50.46 -49.09 56.11 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.31 -56.22 8.16 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -41.28 63.27 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.051 0.94 . . . . 0.0 111.678 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 66.6 m -61.68 -29.33 70.02 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -73.58 -48.94 28.92 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.401 0.546 . . . . 0.0 110.208 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 47.3 p -70.98 -64.61 0.87 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.348 1.059 . . . . 0.0 111.288 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m -92.87 162.33 14.14 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.425 1.49 . . . . 0.0 111.418 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 80.5 m -58.45 -68.12 0.29 Allowed 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.274 1.029 . . . . 0.0 109.842 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -2.59 113.57 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 129.342 3.057 . . . . 0.0 116.579 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 60.2 p -76.93 176.46 3.43 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 124.481 1.112 . . . . 0.0 109.221 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -52.43 -42.53 60.52 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 123.038 2.492 . . . . 0.0 112.964 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -63.21 -53.43 53.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.839 0.856 . . . . 0.0 109.508 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 8.0 m -50.36 -36.02 30.59 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.478 1.911 . . . . 0.0 114.109 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -77.67 -44.57 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 124.354 1.062 . . . . 0.0 112.371 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -50.19 -26.04 4.21 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.464 HG23 ' N ' ' B' ' 47' ' ' MET . 12.4 t -68.73 -46.35 69.14 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 119.757 1.162 . . . . 0.0 111.913 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.464 ' N ' HG23 ' B' ' 46' ' ' THR . 64.9 mtm -53.58 -59.63 4.35 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . 0.441 HD22 ' CE2' ' B' ' 68' ' ' TYR . 42.0 mt -46.54 -58.21 4.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.778 1.231 . . . . 0.0 110.891 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -53.68 -40.38 65.9 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.293 1.437 . . . . 0.0 112.353 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -77.47 -40.22 43.89 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.321 1.048 . . . . 0.0 110.065 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.86 -33.28 74.93 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 123.542 0.737 . . . . 0.0 109.823 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.42 -38.16 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.091 0.956 . . . . 0.0 110.143 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -75.7 -46.34 31.78 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.892 0.877 . . . . 0.0 111.36 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -77.78 -17.64 57.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.491 1.117 . . . . 0.0 112.195 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.11 14.96 55.35 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 116.786 -2.119 . . . . 0.0 117.503 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.81 -34.08 64.44 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 121.874 2.837 . . . . 0.0 110.424 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' B' ' 70' ' ' PRO . 84.5 mt -131.58 164.28 26.2 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.431 1.493 . . . . 0.0 108.992 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -141.51 136.67 31.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.395 1.078 . . . . 0.0 111.015 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 143.25 26.53 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-N 118.915 0.78 . . . . 0.0 112.087 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -146.36 133.75 20.74 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 123.519 0.727 . . . . 0.0 110.502 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -83.16 119.77 24.95 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.853 0.861 . . . . 0.0 109.721 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -127.18 78.69 1.83 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.415 1.486 . . . . 0.0 109.486 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 40.24 -85.8 0.01 OUTLIER Glycine 0 CA--C 1.531 1.078 0 C-N-CA 126.736 2.112 . . . . 0.0 115.388 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -51.92 -53.7 37.95 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.153 1.781 . . . . 0.0 113.341 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -152.88 149.62 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 N-CA-C 104.25 -2.5 . . . . 0.0 104.25 -178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' B' ' 66' ' ' PHE . 0.1 OUTLIER -81.28 152.71 27.46 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 173.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 87.1 t -125.78 138.36 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.37 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.961 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' TYR . . . . . 0.441 ' CE2' HD22 ' B' ' 48' ' ' LEU 0.265 33.9 m-85 -93.31 120.59 33.77 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 101.768 -3.419 . . . . 0.0 101.768 175.11 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 80.4 p -112.61 135.67 21.53 Favored Pre-proline 0 N--CA 1.451 -0.392 0 C-N-CA 124.927 1.291 . . . . 0.0 108.624 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . 0.526 ' HA ' HD23 ' B' ' 57' ' ' LEU . 72.0 Cg_endo -73.73 116.8 4.8 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 122.419 2.079 . . . . 0.0 111.331 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -62.23 -29.57 70.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.886 1.674 . . . . 0.0 111.271 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 pt . . . . . 0 N--CA 1.45 -0.443 0 C-N-CA 126.1 1.76 . . . . 0.0 108.652 -177.545 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo . . . . . 0 N--CA 1.458 -0.568 0 CA-C-O 119.922 -0.116 . . . . 0.0 112.154 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -78.43 81.43 4.77 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 59.0 mt -80.78 144.83 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 124.538 1.135 . . . . 0.0 111.84 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 84.1 p -135.0 -169.28 2.33 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 127.866 2.466 . . . . 0.0 106.686 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -61.23 -47.95 83.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.93 94.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.169 0.987 . . . . 0.0 113.399 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' B' ' 15' ' ' MET . 13.6 tt0 -64.49 -52.39 58.14 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.567 0.622 . . . . 0.0 110.513 -178.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -41.25 97.68 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.594 1.158 . . . . 0.0 111.829 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -52.7 -36.07 56.64 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 118.51 0.595 . . . . 0.0 111.831 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.93 -58.47 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.876 0.87 . . . . 0.0 109.015 177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 24.4 mtp -45.99 -44.9 15.41 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 125.548 1.539 . . . . 0.0 111.226 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -47.89 -49.98 28.05 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.885 1.674 . . . . 0.0 110.825 177.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 t -68.39 -48.17 74.15 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 CA-C-N 118.784 0.72 . . . . 0.0 110.481 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mt -57.0 -40.09 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 124.394 1.078 . . . . 0.0 112.017 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -65.78 -23.56 66.74 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.95 -46.94 64.19 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' HIS . . . . . 0.831 ' CD2' ' O ' ' B' ' 23' ' ' SER . 2.7 t60 -70.89 153.44 42.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.159 1.783 . . . . 0.0 109.363 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -59.68 -58.88 6.67 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' SER . . . . . 0.831 ' O ' ' CD2' ' B' ' 21' ' ' HIS . 33.9 m -128.8 -155.08 0.68 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 101.135 -3.654 . . . . 0.0 101.135 164.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.321 13.2 tt -150.91 137.95 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 121.911 2.141 . . . . 0.0 112.221 172.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -96.25 134.45 39.35 Favored 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 100.738 -3.801 . . . . 0.0 100.738 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.02 -32.89 0.72 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.902 2.081 . . . . 0.0 113.458 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -41.69 87.04 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 120.044 1.293 . . . . 0.0 110.933 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -71.74 -36.5 70.46 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.414 0.685 . . . . 0.0 111.498 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -55.04 19.0 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.519 HD11 ' HG3' ' B' ' 45' ' ' GLN . 26.5 mt -59.61 -52.62 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 124.19 0.996 . . . . 0.0 109.178 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -46.52 -41.81 14.75 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 123.543 0.527 . . . . 0.0 112.233 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -82.87 -61.64 1.82 Allowed 'General case' 0 C--N 1.343 0.318 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.16 -38.22 85.68 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -176.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 6.9 t -66.25 -27.74 68.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.362 0.983 . . . . 0.0 112.924 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -78.71 -46.84 18.11 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.077 0.551 . . . . 0.0 110.468 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.1 p -71.92 -56.62 5.36 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.223 1.009 . . . . 0.0 111.392 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 40.5 m -92.69 162.1 14.29 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.722 1.209 . . . . 0.0 110.18 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -60.66 -58.22 9.38 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.096 0.958 . . . . 0.0 110.691 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -11.02 118.98 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 130.126 3.37 . . . . 0.0 115.973 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 40.2 t -67.63 158.47 82.67 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 125.412 1.485 . . . . 0.0 109.214 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -49.36 -42.15 41.52 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.833 2.356 . . . . 0.0 112.247 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -65.96 -40.29 91.16 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.741 0.816 . . . . 0.0 111.518 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.56 ' O ' ' HG3' ' B' ' 47' ' ' MET . 39.2 m -59.71 -46.62 88.54 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.112 0.565 . . . . 0.0 109.778 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.76 -63.19 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.511 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . 0.519 ' HG3' HD11 ' B' ' 30' ' ' ILE . 87.2 mt-30 -42.42 -34.74 0.87 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.414 1.486 . . . . 0.0 114.729 -178.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 96.4 m -84.0 -27.49 28.38 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.809 0.843 . . . . 0.0 113.243 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.56 ' HG3' ' O ' ' B' ' 43' ' ' THR . 94.0 mtp -53.01 -48.23 67.69 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.84 -44.79 86.71 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 126.347 1.859 . . . . 0.0 112.331 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 20.4 tp -43.47 -52.83 5.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.189 1.396 . . . . 0.0 114.41 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -69.59 -40.16 76.86 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.27 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' B' ' 56' ' ' ALA . 11.0 mp -54.82 -34.06 62.34 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 119.644 1.111 . . . . 0.0 109.932 173.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.05 -29.32 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 123.54 0.736 . . . . 0.0 111.247 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -79.3 -46.5 17.6 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.242 1.017 . . . . 0.0 111.275 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -86.33 -17.53 34.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.468 1.507 . . . . 0.0 112.726 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.17 11.29 30.01 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 120.233 2.853 . . . . 0.0 120.233 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . 0.401 ' HB3' ' HG ' ' B' ' 51' ' ' LEU . . . -68.5 -51.17 46.08 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 123.598 3.699 . . . . 0.0 109.907 176.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.54 166.29 12.27 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.116 1.766 . . . . 0.0 110.999 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -141.05 134.5 29.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.172 1.389 . . . . 0.0 109.531 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.4 149.39 21.28 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 119.578 1.081 . . . . 0.0 112.626 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -146.2 121.34 10.14 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.04 0.936 . . . . 0.0 110.563 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -82.92 94.97 7.83 Favored 'General case' 0 C--N 1.343 0.304 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -93.26 95.82 9.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.741 1.616 . . . . 0.0 112.494 -176.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.73 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.528 0.887 0 C-N-CA 125.409 1.481 . . . . 0.0 114.105 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -80.51 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.469 1.108 . . . . 0.0 109.486 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 27.3 m -135.05 173.46 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.017 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' B' ' 66' ' ' PHE . 0.0 OUTLIER -81.3 153.89 26.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 -173.363 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 m -125.87 139.69 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.764 0 C-N-CA 126.607 1.963 . . . . 0.0 110.328 173.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' TYR . . . . . 0.485 ' CG ' ' HZ ' ' B' ' 66' ' ' PHE 0.27 8.5 m-85 -94.15 121.26 35.46 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 178.808 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 73.2 p -100.53 113.56 65.56 Favored Pre-proline 0 N--CA 1.452 -0.361 0 C-N-CA 126.614 1.966 . . . . 0.0 109.759 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -57.33 106.44 0.23 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.484 2.789 . . . . 0.0 110.748 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -71.87 -9.34 58.18 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.735 0.814 . . . . 0.0 112.213 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.344 0.345 0 C-N-CA 125.188 1.395 . . . . 0.0 110.061 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.138 0 O4'-C1'-N19 110.722 3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.019 0 P-O3'-C3' 123.401 3.084 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 0 P-O3'-C3' 124.081 3.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.081 0 P-O3'-C3' 124.343 3.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.442 1 O4'-C1'-N19 113.702 7.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' DA' . . . . . 0.649 " H3'" ' HB3' ' B' ' 66' ' ' PHE . . . . . . . . 0 C5'--C4' 1.531 2.517 3 O4'-C1'-N19 114.113 7.891 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' DT' . . . . . 0.868 ' C7 ' HG21 ' B' ' 26' ' ' THR . . . . . . . . 0 C5'--C4' 1.535 2.954 2 P-O3'-C3' 126.331 5.526 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.634 1 O4'-C1'-N19 111.814 5.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.295 2 P-O3'-C3' 125.992 5.243 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.84 0 O4'-C4'-C3' 109.283 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.779 4.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.084 1 O4'-C1'-N19 113.38 6.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.697 " C2'" ' H71' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.055 1 O4'-C1'-N19 112.365 5.706 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.716 ' H72' ' HB2' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.543 2 O4'-C4'-C3' 109.981 4.381 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . 0.92 ' C8 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.54 3.651 1 C4'-C3'-C2' 98.492 -4.708 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 0.841 ' H73' ' HB ' ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.533 2.81 1 O4'-C1'-N19 115.342 9.428 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 2 O4'-C1'-N19 112.28 5.6 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.725 3 P-O3'-C3' 125.096 4.496 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.395 2 O4'-C1'-N19 112.988 6.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 2 C5'-C4'-C3' 108.12 -4.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 1 O4'-C1'-N19 113.033 6.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.649 0 P-O3'-C3' 123.841 3.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.91 2 O4'-C1'-N19 112.142 5.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.74 2 O4'-C1'-N19 111.802 5.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tmm? . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -122.59 175.64 6.37 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.988 1.315 . . . . 0.0 110.159 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -84.15 129.41 34.9 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.42 1.088 . . . . 0.0 109.836 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.69 -62.41 0.42 Allowed Pre-proline 0 CA--C 1.537 0.48 0 CA-C-O 118.078 -0.963 . . . . 0.0 109.152 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.509 ' HB3' ' HB2' ' B' ' 56' ' ' ALA . 68.3 Cg_endo -80.3 146.81 17.84 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.563 2.175 . . . . 0.0 110.782 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.561 ' O ' H5'' ' C' ' 13' ' ' ' DA' . 5.9 mp0 -84.19 109.36 17.68 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 35.6 mm -81.06 152.16 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.639 1.176 . . . . 0.0 111.41 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.7 t -149.33 -174.62 4.71 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.542 2.337 . . . . 0.0 107.375 179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.73 -61.19 2.8 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.316 0.646 . . . . 0.0 110.04 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -31.1 72.05 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.539 0.736 . . . . 0.0 112.599 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.689 ' O ' ' HG3' ' B' ' 15' ' ' MET . 0.0 OUTLIER -62.65 -52.76 62.07 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.414 0.685 . . . . 0.0 110.45 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -64.51 -45.99 84.89 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.226 1.01 . . . . 0.0 112.147 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -48.15 -47.33 34.94 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 11.7 m -69.38 -40.52 80.13 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-N 118.562 0.619 . . . . 0.0 111.481 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.689 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 27.0 mtp -51.64 -45.58 63.39 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.475 1.11 . . . . 0.0 110.499 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -51.31 -48.58 62.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 126.221 1.808 . . . . 0.0 111.168 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 t -65.94 -38.48 82.2 Favored 'Isoleucine or valine' 0 C--N 1.342 0.279 0 C-N-CA 123.284 0.634 . . . . 0.0 110.523 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.53 -44.14 90.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 24.5 m0 -68.95 -27.14 65.47 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.632 1.173 . . . . 0.0 111.705 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.35 -47.36 82.46 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -79.36 167.74 20.46 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.448 1.499 . . . . 0.0 107.999 176.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 43.6 p -63.71 -59.49 4.52 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 69.6 m -129.84 -154.55 0.64 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 102.475 -3.157 . . . . 0.0 102.475 163.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.356 10.3 tt -150.84 151.95 11.92 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 122.178 2.263 . . . . 0.0 113.371 174.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -110.98 148.27 32.89 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.868 HG21 ' C7 ' ' A' ' 7' ' ' ' DT' . 0.7 OUTLIER -43.13 -36.29 1.63 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -177.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.89 -45.33 86.39 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-N 120.996 1.726 . . . . 0.0 111.086 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -66.92 -39.37 87.36 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -59.43 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.404 HG12 HG21 ' B' ' 44' ' ' ILE . 37.8 mt -60.35 -49.93 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.445 0.698 . . . . 0.0 110.461 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -48.98 -38.75 24.07 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 123.551 0.532 . . . . 0.0 112.339 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.26 -56.66 3.78 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.439 0.696 . . . . 0.0 112.371 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mp -54.01 -39.89 66.53 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 126.479 1.911 . . . . 0.0 112.044 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 95.4 p -67.53 -39.72 85.04 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.944 0.898 . . . . 0.0 112.511 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -70.99 -45.17 64.49 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.345 0.658 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.2 p -72.02 -65.29 0.79 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.869 0.867 . . . . 0.0 111.471 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 56.5 m -96.32 162.3 13.56 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.93 1.292 . . . . 0.0 111.769 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 35.6 p -54.72 -68.1 0.21 Allowed 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.742 1.217 . . . . 0.0 110.286 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -3.6 115.79 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 129.871 3.268 . . . . 0.0 116.512 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 76.9 p -77.61 173.21 7.94 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 124.526 1.13 . . . . 0.0 109.411 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -51.72 -32.34 45.13 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 123.479 2.786 . . . . 0.0 113.278 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.08 -57.29 4.67 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.704 0.801 . . . . 0.0 108.895 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.557 ' C ' ' H72' ' C' ' 16' ' ' ' DT' . 11.9 m -51.07 -40.71 58.98 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 127.431 2.292 . . . . 0.0 113.076 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.404 HG21 HG12 ' B' ' 30' ' ' ILE . 22.7 mt -57.38 -49.35 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 125.404 1.482 . . . . 0.0 113.141 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -56.25 -30.94 63.07 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 118.411 2.745 . . . . 0.0 118.411 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.92 HG21 ' C8 ' ' C' ' 15' ' ' ' DG' . 11.1 t -61.92 -43.62 98.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 120.828 1.649 . . . . 0.0 111.235 178.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.556 ' O ' HD22 ' B' ' 51' ' ' LEU . 4.1 mpp? -58.98 -25.59 63.72 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.93 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.5 mt -87.65 -60.5 1.96 Allowed 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.339 1.056 . . . . 0.0 111.503 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -55.12 -54.21 46.11 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 126.26 1.824 . . . . 0.0 114.223 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.716 ' HB2' ' H72' ' C' ' 14' ' ' ' DT' . 18.3 mmt180 -66.47 -43.67 84.84 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 118.09 0.405 . . . . 0.0 111.635 -176.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.556 HD22 ' O ' ' B' ' 47' ' ' MET . 5.9 mp -51.15 -52.94 39.14 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 124.903 1.281 . . . . 0.0 107.986 173.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 60.3 mt -59.89 -42.83 90.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 118.153 0.433 . . . . 0.0 111.666 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.52 -37.57 81.56 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.627 0.771 . . . . 0.0 110.916 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -94.0 -9.41 36.96 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.899 1.28 . . . . 0.0 113.623 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.15 0.64 41.35 Favored Glycine 0 CA--C 1.533 1.216 0 CA-C-O 117.155 -1.914 . . . . 0.0 117.592 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.509 ' HB2' ' HB3' ' B' ' 5' ' ' PRO . . . -59.07 -51.25 70.86 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 121.44 2.62 . . . . 0.0 112.829 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 mp -122.45 166.98 13.9 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 127.96 2.504 . . . . 0.0 109.953 -176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -140.61 128.4 21.76 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.523 0.729 . . . . 0.0 111.153 177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.53 150.01 20.78 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 119.01 0.823 . . . . 0.0 111.715 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -146.12 126.43 13.95 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 123.998 0.919 . . . . 0.0 110.112 -179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -83.57 93.13 7.78 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -86.97 138.03 31.86 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 126.753 2.021 . . . . 0.0 110.259 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -4.45 -68.7 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 C-N-CA 128.92 3.152 . . . . 0.0 115.928 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -72.41 -79.39 0.08 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 117.456 0.628 . . . . 0.0 110.258 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.615 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 34.0 m -133.4 173.69 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.803 0 N-CA-C 105.535 -2.024 . . . . 0.0 105.535 177.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.649 ' HB3' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -80.36 153.23 28.48 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -173.393 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.18 132.86 70.12 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.543 0 CA-C-N 112.112 -2.313 . . . . 0.0 109.9 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -95.0 120.98 36.13 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 103.46 -2.793 . . . . 0.0 103.46 174.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 73.2 p -112.9 128.57 25.44 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 125.384 1.473 . . . . 0.0 111.039 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -57.02 113.31 1.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.797 2.998 . . . . 0.0 111.395 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -76.38 -9.29 58.54 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.126 0.971 . . . . 0.0 111.465 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.572 ' H ' HD12 ' B' ' 72' ' ' ILE . 0.1 OUTLIER -111.95 150.55 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 127.479 2.311 . . . . 0.0 107.471 177.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -150.56 -52.4 0.14 Allowed 'General case' 0 C--N 1.34 0.181 0 C-N-CA 123.928 0.891 . . . . 0.0 110.715 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -64.89 -50.07 68.01 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.151 0.98 . . . . 0.0 110.284 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 29.4 p -69.08 -75.6 0.11 Allowed 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 124.792 1.237 . . . . 0.0 111.057 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 48.89 55.58 9.01 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.157 1.383 . . . . 0.0 109.491 -178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 10.0 t80 65.92 105.9 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 127.143 2.177 . . . . 0.0 111.854 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 47.4 mt -96.54 94.99 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 178.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -80.18 99.65 7.89 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.29 148.56 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.896 0.878 . . . . 0.0 110.705 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -76.8 165.06 25.23 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.896 0.879 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 62.9 m . . . . . 0 C--O 1.251 1.137 0 CA-C-O 117.334 -1.317 . . . . 0.0 110.064 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C4'-C3' 108.806 3.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 0 P-O3'-C3' 124.194 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.959 0 P-O3'-C3' 124.19 3.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 1 O4'-C1'-N19 111.191 4.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ' DT' . . . . . 0.734 " H3'" HD22 ' B' ' 27' ' ' ASN . . . . . . . . 0 C5'--C4' 1.54 3.604 2 O5'-C5'-C4' 116.301 4.358 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ' DA' . . . . . 0.788 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.532 2.634 3 P-O3'-C3' 126.311 5.509 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 3 P-O3'-C3' 127.052 6.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.227 3 O4'-C1'-N19 114.752 8.69 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.082 1 P-O3'-C3' 125.208 4.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.106 0 P-O3'-C3' 124.198 3.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.635 1 P-O3'-C3' 125.033 4.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.594 1 O4'-C1'-N19 118.239 13.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.603 H2'' ' H71' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.065 0 O4'-C1'-N19 110.826 3.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.603 ' H71' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 1 C5'--C4' 1.543 4.039 2 P-O3'-C3' 125.166 4.555 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . 0.866 ' N7 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.543 3.944 2 O4'-C1'-N19 111.702 4.878 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 1.006 ' H73' ' CA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.533 2.806 2 O4'-C1'-N19 116.099 10.374 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.104 1 O4'-C1'-N19 111.093 4.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.114 2 O4'-C1'-N19 112.99 6.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.364 2 O4'-C1'-N19 112.704 6.13 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.261 1 P-O3'-C3' 126.324 5.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.764 1 P-O3'-C3' 125.184 4.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 2 O4'-C1'-N19 112.917 6.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.868 1 O4'-C1'-N19 112.358 5.698 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.949 3.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.916 -0.088 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 57.2 57.73 4.34 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 125.171 1.388 . . . . 0.0 110.324 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -73.63 104.9 4.73 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.869 0.868 . . . . 0.0 109.217 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 41.3 pt -73.48 163.3 69.42 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 124.037 0.935 . . . . 0.0 110.239 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -59.79 141.94 97.73 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.268 2.646 . . . . 0.0 111.083 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -78.12 76.57 4.63 Favored 'General case' 0 C--N 1.34 0.193 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -81.12 136.56 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.704 0.802 . . . . 0.0 109.944 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 30.7 t -132.76 -134.75 0.18 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -82.54 -56.64 3.75 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.62 -44.0 36.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.628 1.571 . . . . 0.0 114.741 -177.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -72.99 -47.55 44.2 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -58.65 -35.26 72.25 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.829 0.852 . . . . 0.0 111.419 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -55.8 -46.95 77.9 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.219 0.918 . . . . 0.0 109.516 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -68.76 -60.25 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 C-N-CA 124.117 0.967 . . . . 0.0 110.212 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.9 mmt -51.4 -39.74 57.83 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.958 1.303 . . . . 0.0 112.625 -177.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -54.62 -53.35 55.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.227 1.411 . . . . 0.0 109.828 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.02 -47.93 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 C-N-CA 124.234 1.014 . . . . 0.0 110.091 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -57.32 -42.15 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 123.361 0.664 . . . . 0.0 111.044 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -67.15 -19.98 65.68 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -68.83 -48.23 64.05 Favored 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' B' ' 23' ' ' SER . 3.2 t-160 -72.76 152.43 41.61 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.033 1.733 . . . . 0.0 108.992 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -57.47 -58.27 9.0 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.46 ' O ' ' CG ' ' B' ' 21' ' ' HIS . 28.6 p -128.35 -154.5 0.64 Allowed 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 101.647 -3.464 . . . . 0.0 101.647 166.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.336 14.7 tt -150.52 141.5 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 CA-C-N 122.852 2.569 . . . . 0.0 112.573 172.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -102.7 127.85 49.65 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 100.634 -3.839 . . . . 0.0 100.634 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -42.26 -29.35 0.25 Allowed 'General case' 0 C--O 1.227 -0.085 0 C-N-CA 127.755 2.422 . . . . 0.0 114.708 -173.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.734 HD22 " H3'" ' A' ' 5' ' ' ' DT' . 2.6 p30 -61.55 -38.56 87.92 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 118.683 -1.207 . . . . 0.0 111.816 177.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -73.21 -37.83 66.31 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 123.534 0.733 . . . . 0.0 110.923 178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.79 -56.17 17.31 Favored 'Isoleucine or valine' 0 C--N 1.345 0.41 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -60.46 -52.8 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 C-N-CA 123.769 0.828 . . . . 0.0 109.857 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 60.0 tptt -49.79 -36.96 28.06 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -84.78 -58.61 2.64 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 118.957 0.799 . . . . 0.0 112.457 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -59.34 -35.24 73.48 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 61.6 m -65.41 -32.41 74.02 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 119.301 0.955 . . . . 0.0 112.583 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -78.22 -44.31 25.99 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.882 0.873 . . . . 0.0 110.907 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 61.6 p -74.83 -58.29 3.38 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.645 0.778 . . . . 0.0 111.247 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 46.5 m -92.72 162.05 14.3 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.537 1.135 . . . . 0.0 110.46 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.7 p -59.38 -56.29 23.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.052 0.941 . . . . 0.0 110.364 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -15.92 119.86 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 129.703 3.201 . . . . 0.0 116.05 178.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -76.43 175.43 4.35 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 125.252 1.421 . . . . 0.0 108.961 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -52.62 -45.11 42.46 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.913 2.409 . . . . 0.0 112.99 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.583 ' O ' ' H71' ' C' ' 16' ' ' ' DT' . 53.9 mtmt -62.55 -52.84 61.86 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.701 0.8 . . . . 0.0 110.458 178.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 1.006 ' CA ' ' H73' ' C' ' 16' ' ' ' DT' . 10.6 m -47.45 -29.85 2.99 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.88 2.072 . . . . 0.0 114.226 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 75.6 mt -83.05 -47.02 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 124.297 1.039 . . . . 0.0 111.683 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -43.81 -35.89 2.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.974 1.709 . . . . 0.0 114.689 -177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.866 HG21 ' N7 ' ' C' ' 15' ' ' ' DG' . 12.5 t -59.74 -42.7 93.78 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 118.673 0.67 . . . . 0.0 112.171 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 34.0 mtt -54.46 -55.03 33.07 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.096 -177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.463 ' H ' ' CD2' ' B' ' 48' ' ' LEU . 0.7 OUTLIER -56.2 -57.28 12.86 Favored 'General case' 0 N--CA 1.435 -1.208 0 C-N-CA 123.32 0.648 . . . . 0.0 111.525 178.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -52.51 -51.59 58.77 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.438 1.095 . . . . 0.0 112.58 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.6 ' HB2' ' H72' ' C' ' 14' ' ' ' DT' . 17.2 mmt180 -68.39 -48.39 64.83 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 118.562 -0.733 . . . . 0.0 111.211 -178.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 mp -50.08 -41.21 47.65 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 119.108 0.867 . . . . 0.0 109.0 172.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 64.8 mt -69.42 -35.78 68.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 118.925 0.784 . . . . 0.0 111.57 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -67.49 -46.48 72.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.935 0.894 . . . . 0.0 111.316 178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -83.19 -17.71 41.88 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.742 0.817 . . . . 0.0 111.893 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.17 5.41 40.55 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-O 116.701 -2.166 . . . . 0.0 117.836 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.49 -43.09 95.25 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 122.104 2.952 . . . . 0.0 111.025 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 mp -118.41 166.89 12.11 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.576 1.95 . . . . 0.0 111.27 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -141.27 131.67 25.2 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.46 1.104 . . . . 0.0 109.834 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.34 148.06 22.38 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 119.98 1.263 . . . . 0.0 111.518 177.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -146.55 129.3 16.19 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 124.714 1.206 . . . . 0.0 110.956 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -83.78 108.88 17.09 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 123.525 0.73 . . . . 0.0 109.707 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -98.05 137.76 36.37 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 127.292 2.237 . . . . 0.0 107.694 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -14.59 -59.77 0.01 OUTLIER Glycine 0 C--N 1.344 0.979 0 C-N-CA 128.464 2.935 . . . . 0.0 115.295 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -68.72 -83.77 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.788 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 24.3 m -136.33 172.65 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 125.177 1.391 . . . . 0.0 107.3 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.657 ' HB3' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -81.59 150.88 27.93 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 -173.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -122.88 139.48 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.317 0 CA-C-N 114.57 -1.195 . . . . 0.0 110.808 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' TYR . . . . . 0.411 ' CD2' HD12 ' B' ' 48' ' ' LEU . 68.9 m-85 -95.46 120.92 36.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 112.68 -2.055 . . . . 0.0 105.639 176.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 44.6 p -109.21 123.79 35.83 Favored Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 125.582 1.553 . . . . 0.0 111.9 -176.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -59.52 111.77 1.04 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.343 2.695 . . . . 0.0 110.805 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -75.85 -13.28 60.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.579 0.752 . . . . 0.0 111.173 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.15 116.99 54.07 Favored 'Isoleucine or valine' 0 C--N 1.345 0.403 0 C-N-CA 125.244 1.417 . . . . 0.0 108.814 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -127.74 -53.13 1.34 Allowed 'General case' 0 C--N 1.34 0.16 0 C-N-CA 125.4 1.48 . . . . 0.0 109.402 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -85.27 57.63 4.56 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 124.756 1.222 . . . . 0.0 108.471 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 28.9 t 179.58 -56.4 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.459 2.303 . . . . 0.0 107.547 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 16.1 t70 59.32 -88.03 0.02 OUTLIER 'General case' 0 C--N 1.344 0.333 0 C-N-CA 126.005 1.722 . . . . 0.0 109.672 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -149.03 113.87 5.4 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.066 1.346 . . . . 0.0 108.859 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 31.4 mm -97.15 94.93 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -78.19 99.75 6.34 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 95.0 t -82.16 110.15 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.707 0.803 . . . . 0.0 109.485 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -73.74 -63.64 1.17 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 117.494 -1.241 . . . . 0.0 109.394 179.549 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.317 0 C4'-C3'-C2' 99.245 -3.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 0 P-O3'-C3' 123.485 3.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.943 1 O4'-C1'-N19 114.897 8.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.052 0 C4'-C3'-O3' 104.184 -2.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 1 P-O3'-C3' 124.639 4.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ' DA' . . . . . 0.586 H5'' HH11 ' B' ' 64' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.187 1 O4'-C1'-N19 113.05 6.562 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ' DT' . . . . . 1.101 ' H72' HG21 ' B' ' 26' ' ' THR . . . . . . . . 0 O5'--C5' 1.393 -2.913 2 O4'-C1'-N19 111.987 5.234 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ' DT' . . . . . 0.974 ' H72' ' HZ ' ' B' ' 66' ' ' PHE . . . . . . . . 0 C5'--C4' 1.527 2.002 3 O4'-C1'-N19 114.959 8.949 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.352 1 P-O3'-C3' 125.958 5.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ' DC' . . . . . 0.404 ' H6 ' " H2'" ' A' ' 10' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 P-O3'-C3' 123.586 3.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 1 O4'-C1'-N19 111.37 4.463 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.807 1 O4'-C1'-N19 113.453 7.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.726 " H3'" ' OE1' ' B' ' 11' ' ' GLU . . . . . . . . 0 C5'--C4' 1.535 2.944 0 C4'-C3'-C2' 99.458 -3.742 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.972 ' H72' ' HA ' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.797 0 O4'-C4'-C3' 109.317 3.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . 0.977 ' N7 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C4'-C3' 110.017 4.417 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 1.116 ' C7 ' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.533 2.783 2 O4'-C1'-N19 116.533 10.917 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.226 1 O4'-C1'-N19 112.412 5.765 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.74 2 O3'-P-O5' 95.504 -4.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.33 1 O4'-C1'-N19 111.524 4.655 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.627 3 C5'-C4'-C3' 107.784 -4.611 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.859 1 P-O3'-C3' 124.505 4.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.577 1 O4'-C1'-N19 112.356 5.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.003 2 P-O3'-C3' 125.772 5.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.768 1 O4'-C1'-N19 116.341 10.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 110.855 -0.054 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -154.82 -37.06 0.09 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.134 0.974 . . . . 0.0 111.362 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -137.66 170.95 15.18 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 125.192 1.397 . . . . 0.0 109.851 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 2.3 pp -65.18 139.28 97.55 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 123.038 0.535 . . . . 0.0 110.085 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -77.57 147.66 25.35 Favored 'Trans proline' 0 N--CA 1.456 -0.723 0 C-N-CA 123.513 2.808 . . . . 0.0 111.909 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.687 ' O ' H5'' ' C' ' 13' ' ' ' DA' . 44.0 mm-40 -84.28 93.89 8.32 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 178.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mm -80.36 142.57 13.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.879 1.272 . . . . 0.0 111.114 -176.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.0 t -128.0 177.03 7.15 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 127.235 2.214 . . . . 0.0 107.671 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -60.71 -61.08 2.85 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.84 31.59 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.682 1.193 . . . . 0.0 112.467 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.726 ' OE1' " H3'" ' C' ' 13' ' ' ' DA' . 19.6 tt0 -61.59 -52.41 64.52 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 124.065 0.946 . . . . 0.0 111.733 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -34.15 57.36 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.547 1.139 . . . . 0.0 112.187 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -49.17 -41.07 35.44 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 m -76.29 -44.95 35.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.645 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 20.5 mtp -54.48 -40.9 68.92 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.314 1.046 . . . . 0.0 110.624 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -54.91 -50.15 69.51 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.135 1.374 . . . . 0.0 107.969 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 38.2 t -67.1 -37.52 79.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.368 1.067 . . . . 0.0 111.311 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 10.0 mt -64.36 -43.59 97.1 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 CA-C-N 119.349 0.977 . . . . 0.0 109.447 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -61.47 -19.23 61.79 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.639 -0.696 . . . . 0.0 112.811 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -68.95 -49.49 57.56 Favored 'General case' 0 C--N 1.345 0.409 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 175.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 1.076 ' HD2' ' O ' ' B' ' 23' ' ' SER . 7.5 t60 -69.87 159.1 34.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.391 1.476 . . . . 0.0 108.163 177.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 23.3 p -62.29 -60.06 4.11 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 1.076 ' O ' ' HD2' ' B' ' 21' ' ' HIS . 56.7 m -130.35 -154.84 0.66 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 101.798 -3.408 . . . . 0.0 101.798 160.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.275 10.8 tt -150.7 151.62 12.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 O-C-N 119.936 -1.728 . . . . 0.0 111.408 174.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.6 p30 -112.35 173.83 6.18 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 122.283 2.31 . . . . 0.0 104.883 174.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 1.101 HG21 ' H72' ' A' ' 7' ' ' ' DT' . 0.8 OUTLIER -59.42 -19.61 48.62 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 -178.689 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -54.44 5.06 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 119.723 1.147 . . . . 0.0 111.107 176.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.12 -39.22 66.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.046 1.339 . . . . 0.0 112.026 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.0 -45.67 96.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 125.114 1.365 . . . . 0.0 110.866 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.45 -61.07 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.34 0.189 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -48.81 -32.96 9.55 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.126 0.97 . . . . 0.0 112.725 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -84.95 -61.82 1.69 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.778 0.831 . . . . 0.0 113.127 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.58 -57.11 5.6 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 27.0 p -42.76 -37.38 1.75 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -67.1 -48.54 67.85 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.091 0.556 . . . . 0.0 111.721 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 75.2 p -78.09 -47.58 17.96 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.229 1.012 . . . . 0.0 113.403 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 100.0 p -92.68 162.5 14.13 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 125.161 1.384 . . . . 0.0 113.244 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 31.7 p -58.59 -66.94 0.41 Allowed 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.618 1.167 . . . . 0.0 108.102 177.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -11.14 97.62 0.01 OUTLIER 'General case' 0 C--N 1.345 0.392 0 C-N-CA 129.185 2.994 . . . . 0.0 113.847 176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 59.7 p -61.41 159.07 34.0 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 124.604 1.162 . . . . 0.0 110.125 178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -44.24 -37.1 9.77 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 124.52 3.48 . . . . 0.0 114.666 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.436 ' O ' ' H71' ' C' ' 16' ' ' ' DT' . 22.3 pttp -66.99 -44.04 81.42 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.455 0.702 . . . . 0.0 110.139 177.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 1.116 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 76.9 m -67.78 -21.95 65.22 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.545 1.538 . . . . 0.0 112.536 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.6 mm -65.98 -42.05 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 118.667 0.667 . . . . 0.0 110.448 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -49.6 -48.03 49.16 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.006 1.323 . . . . 0.0 113.164 -178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.977 HG21 ' N7 ' ' C' ' 15' ' ' ' DG' . 3.9 t -68.25 -36.95 80.25 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 117.5 -1.238 . . . . 0.0 112.841 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.617 ' HG3' ' O ' ' B' ' 43' ' ' THR . 9.9 mtm -45.85 -26.58 0.7 Allowed 'General case' 0 C--N 1.344 0.343 0 C-N-CA 126.388 1.875 . . . . 0.0 114.758 -172.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.609 HD13 ' CE2' ' B' ' 68' ' ' TYR . 70.4 mt -85.72 -55.63 3.88 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 126.213 1.805 . . . . 0.0 108.479 178.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.582 HD21 ' C7 ' ' A' ' 8' ' ' ' DT' . 0.3 OUTLIER -62.07 -17.93 59.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.033 2.133 . . . . 0.0 112.951 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.972 ' HA ' ' H72' ' C' ' 14' ' ' ' DT' . 48.2 mtm180 -55.36 -60.81 2.89 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 119.462 1.028 . . . . 0.0 108.493 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -50.58 -54.34 23.38 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.134 1.773 . . . . 0.0 111.18 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 19.4 mt -48.39 -35.61 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.718 1.607 . . . . 0.0 113.008 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -55.43 -46.35 76.69 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 118.323 0.511 . . . . 0.0 111.156 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -92.73 -17.93 23.6 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.42 0.688 . . . . 0.0 110.533 176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.69 20.09 12.34 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 117.514 -1.715 . . . . 0.0 114.523 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.49 -7.68 49.07 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 120.765 2.283 . . . . 0.0 112.994 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.1 mt -151.12 164.55 36.25 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.02 2.528 . . . . 0.0 106.93 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -142.12 124.57 15.71 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 117.425 -1.274 . . . . 0.0 110.423 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -93.85 149.24 21.4 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-N 120.736 1.607 . . . . 0.0 111.845 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -147.12 144.63 29.16 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 125.17 1.388 . . . . 0.0 108.56 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -83.0 97.98 9.02 Favored 'General case' 0 C--N 1.342 0.28 0 N-CA-C 107.53 -1.285 . . . . 0.0 107.53 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -86.97 79.14 8.84 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.686 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 58.78 -88.38 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 C-N-CA 125.127 1.346 . . . . 0.0 112.804 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.586 HH11 H5'' ' A' ' 6' ' ' ' DA' . 1.8 tmt_? -67.59 -61.71 1.76 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.184 0.993 . . . . 0.0 111.161 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.44 HG23 " H3'" ' A' ' 6' ' ' ' DA' . 2.3 p -133.11 158.49 43.18 Favored 'Isoleucine or valine' 0 C--N 1.342 0.27 0 C-N-CA 123.896 0.878 . . . . 0.0 112.234 -178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.974 ' HZ ' ' H72' ' A' ' 8' ' ' ' DT' . 0.1 OUTLIER -82.29 134.07 35.26 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 125.64 1.576 . . . . 0.0 108.698 179.678 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 40.1 t -125.94 139.69 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 113.823 -1.535 . . . . 0.0 108.755 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' TYR . . . . . 0.609 ' CE2' HD13 ' B' ' 48' ' ' LEU . 0.9 OUTLIER -93.96 120.56 34.39 Favored 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 103.935 -2.617 . . . . 0.0 103.935 -178.146 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 33.8 p -96.07 127.83 39.34 Favored Pre-proline 0 C--N 1.342 0.239 0 C-N-CA 125.03 1.332 . . . . 0.0 112.093 -173.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -56.56 96.7 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.768 2.979 . . . . 0.0 113.044 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -64.16 -33.89 76.81 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.03 0.932 . . . . 0.0 109.582 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 10.2 pt -112.0 156.65 13.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 126.676 1.99 . . . . 0.0 106.52 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -100.13 161.74 13.41 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.557 0.743 . . . . 0.0 112.968 -176.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.37 -34.94 79.1 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.252 1.421 . . . . 0.0 110.899 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -62.14 -34.55 76.59 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 123.98 0.912 . . . . 0.0 110.937 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -63.87 -23.09 67.21 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.559 0.744 . . . . 0.0 111.294 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -132.4 -113.56 0.23 Allowed 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.844 1.258 . . . . 0.0 109.906 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 33.2 mm -90.77 104.42 15.36 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 C-N-CA 124.687 1.195 . . . . 0.0 108.883 -179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -77.01 99.83 5.43 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 33.7 m -74.08 148.71 8.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 123.787 0.835 . . . . 0.0 111.52 -178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.97 164.37 12.82 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.474 1.109 . . . . 0.0 112.283 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.251 1.152 0 CA-C-O 117.57 -1.205 . . . . 0.0 109.959 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.157 0 C4'-C3'-C2' 100.577 -2.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.733 0 P-O3'-C3' 124.158 3.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.988 2 O4'-C1'-N19 111.913 5.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.678 2 C4'-C3'-C2' 98.585 -4.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ' DT' . . . . . 0.421 H2'' ' OP2' ' A' ' 6' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.541 3.744 0 N19-C1'-C2' 120.36 3.85 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ' DA' . . . . . 0.706 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.54 3.637 1 O4'-C1'-N19 111.263 4.329 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.089 1 O4'-C1'-N19 113.892 7.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.509 2 O4'-C1'-N19 114.393 8.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.325 1 P-O3'-C3' 124.54 4.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.718 0 O4'-C1'-N19 110.99 3.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.744 0 P-O3'-C3' 124.247 3.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.928 1 O4'-C1'-N19 112.592 5.99 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.702 " H3'" ' OE1' ' B' ' 11' ' ' GLU . . . . . . . . 0 C5'--C4' 1.535 2.981 0 O4'-C1'-N19 110.312 3.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.579 ' C7 ' ' CB ' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.539 3.464 4 O4'-C1'-N19 112.519 5.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . 0.824 ' C8 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.542 3.887 1 O4'-C1'-N19 117.229 11.786 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 1.021 ' H73' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.538 3.347 2 O4'-C1'-N19 115.579 9.724 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.273 1 O4'-C1'-N19 111.496 4.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.695 3 O4'-C4'-C3' 110.611 5.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.231 1 O4'-C1'-N19 113.758 7.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.547 0 O4'-C4'-C3' 109.275 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.811 2 O4'-C1'-N19 111.73 4.912 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.423 H5'' ' NZ ' ' B' ' 61' ' ' LYS . . . . . . . . 0 C5'--C4' 1.532 2.673 0 P-O3'-C3' 124.174 3.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 115.064 9.08 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.675 0 P-O3'-C3' 123.795 3.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 119.84 -0.124 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 64.5 tttm 79.04 -59.83 0.38 Allowed 'General case' 0 C--N 1.342 0.245 0 C-N-CA 125.662 1.585 . . . . 0.0 110.436 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -58.98 -48.22 82.35 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.386 1.074 . . . . 0.0 109.61 178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 24.1 pt -70.51 148.27 95.22 Favored Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 124.236 1.015 . . . . 0.0 109.923 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -75.08 134.8 18.11 Favored 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 123.227 2.618 . . . . 0.0 109.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.586 ' O ' H5'' ' C' ' 13' ' ' ' DA' . 1.2 tm0? -72.24 102.46 3.09 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -80.79 117.87 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -177.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 30.7 m -100.13 179.99 4.31 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.543 1.537 . . . . 0.0 108.283 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.86 -52.91 63.44 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -22.2 66.96 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.18 0.992 . . . . 0.0 113.349 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.702 ' OE1' " H3'" ' C' ' 13' ' ' ' DA' . 14.3 tt0 -73.2 -54.82 7.48 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.794 0.725 . . . . 0.0 110.075 -179.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 17.2 tp -56.64 -36.75 69.87 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.287 0.635 . . . . 0.0 111.809 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.57 -47.54 79.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.669 0.788 . . . . 0.0 110.891 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 13.5 m -73.2 -51.37 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 118.47 -0.776 . . . . 0.0 110.278 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 6.4 mmt -46.72 -36.98 7.75 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.421 1.088 . . . . 0.0 112.447 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -56.1 -52.48 64.14 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.472 1.109 . . . . 0.0 110.098 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.1 t -63.66 -40.0 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.466 0.707 . . . . 0.0 110.397 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mt -64.47 -44.15 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 122.508 0.323 . . . . 0.0 110.145 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 18.0 m0 -72.5 -24.24 61.14 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.833 0.853 . . . . 0.0 111.319 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -64.31 -45.46 87.83 Favored 'General case' 0 C--N 1.345 0.37 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -77.68 158.7 29.57 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.961 1.304 . . . . 0.0 107.635 176.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 53.4 p -58.72 -58.89 6.6 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 68.5 m -129.35 -154.12 0.61 Allowed 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 101.929 -3.36 . . . . 0.0 101.929 164.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.378 9.4 tt -150.4 152.05 11.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 121.85 2.113 . . . . 0.0 112.922 173.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -112.42 133.36 54.54 Favored 'General case' 0 N--CA 1.441 -0.883 1 N-CA-C 98.986 -4.45 . . . . 0.0 98.986 175.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 36.4 m -42.74 -26.98 0.15 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.533 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 0.1 OUTLIER -62.33 -44.49 96.36 Favored 'General case' 0 C--N 1.343 0.283 0 CA-C-N 120.521 1.51 . . . . 0.0 111.841 177.145 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -67.5 -41.83 83.84 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -57.15 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 CA-C-O 118.675 -0.679 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 32.5 mt -59.29 -46.43 92.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 CA-C-N 118.652 0.66 . . . . 0.0 110.344 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.533 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 0.8 OUTLIER -54.41 -39.22 67.09 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.358 0.663 . . . . 0.0 111.644 177.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.66 -61.87 1.86 Allowed 'General case' 0 C--N 1.342 0.281 0 CA-C-N 118.871 0.76 . . . . 0.0 112.29 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 mp -52.66 -40.99 63.39 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 127.178 2.191 . . . . 0.0 112.571 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -66.82 -39.73 87.79 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.516 0.726 . . . . 0.0 112.056 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -73.03 -44.42 60.87 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.241 0.616 . . . . 0.0 111.215 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 67.1 p -73.43 -62.21 1.56 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.641 0.776 . . . . 0.0 111.741 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 16.1 t -92.84 162.18 14.2 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.693 1.197 . . . . 0.0 111.508 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 62.1 m -55.5 -60.75 2.99 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 124.909 1.284 . . . . 0.0 110.12 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -15.85 118.47 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 128.988 2.915 . . . . 0.0 115.582 178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 58.4 p -77.76 174.59 5.7 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.805 1.242 . . . . 0.0 109.55 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -51.48 -39.71 64.13 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 123.368 2.712 . . . . 0.0 113.065 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.401 ' O ' ' H71' ' C' ' 16' ' ' ' DT' . 31.2 mmtp -67.94 -52.32 37.41 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.604 0.762 . . . . 0.0 110.035 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 1.021 ' HA ' ' H73' ' C' ' 16' ' ' ' DT' . 15.9 m -51.58 -30.75 22.07 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 126.11 1.764 . . . . 0.0 113.22 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.3 mt -77.17 -46.49 28.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 125.051 1.341 . . . . 0.0 112.32 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -48.8 -31.09 6.48 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -177.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.824 HG21 ' C8 ' ' C' ' 15' ' ' ' DG' . 11.4 t -64.11 -54.79 28.46 Favored 'General case' 0 C--O 1.225 -0.201 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -178.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.528 ' N ' HG23 ' B' ' 46' ' ' THR . 68.4 mtm -51.4 -52.52 45.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.573 1.149 . . . . 0.0 108.997 -176.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 16.2 mt -53.68 -53.22 55.13 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 125.363 1.465 . . . . 0.0 111.315 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -65.14 -45.31 85.51 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.424 1.09 . . . . 0.0 112.541 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.579 ' CB ' ' C7 ' ' C' ' 14' ' ' ' DT' . 19.2 mmt180 -68.06 -44.23 76.83 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 123.438 0.695 . . . . 0.0 111.835 -176.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.616 ' HB3' ' HB3' ' B' ' 56' ' ' ALA . 5.3 mp -52.27 -45.54 65.49 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 172.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.551 HD13 ' CD2' ' B' ' 59' ' ' HIS . 59.5 mt -62.29 -43.12 97.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.667 0.667 . . . . 0.0 111.237 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -61.96 -40.14 94.57 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.607 0.763 . . . . 0.0 110.686 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -89.18 -7.1 56.28 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.817 1.247 . . . . 0.0 113.558 -178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.33 -9.18 45.41 Favored Glycine 0 CA--C 1.535 1.324 0 N-CA-C 117.961 1.945 . . . . 0.0 117.961 176.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.616 ' HB3' ' HB3' ' B' ' 51' ' ' LEU . . . -56.33 -60.78 3.02 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 121.437 2.618 . . . . 0.0 113.235 178.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.5 mp -109.27 167.3 10.21 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.365 1.866 . . . . 0.0 112.743 -175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -140.76 118.67 11.81 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.958 0.903 . . . . 0.0 111.84 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . 0.551 ' CD2' HD13 ' B' ' 52' ' ' ILE . 0.2 OUTLIER -94.17 135.43 35.56 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.449 1.022 . . . . 0.0 111.737 177.454 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -147.2 142.14 26.96 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.091 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.423 ' NZ ' H5'' ' C' ' 22' ' ' ' DT' . 82.1 tttt -83.91 115.41 22.28 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.355 1.062 . . . . 0.0 109.687 -178.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -119.21 109.18 15.55 Favored 'General case' 0 C--N 1.343 0.326 0 C-N-CA 124.768 1.227 . . . . 0.0 112.319 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 50.96 -92.4 0.01 OUTLIER Glycine 0 C--N 1.341 0.813 0 C-N-CA 125.48 1.514 . . . . 0.0 113.593 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -67.99 -84.12 0.03 OUTLIER 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.94 0.896 . . . . 0.0 110.196 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.706 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 28.1 m -123.71 173.63 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.559 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -80.79 153.88 27.49 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -173.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 45.3 t -118.47 135.66 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.02 0 CA-C-N 114.286 -1.325 . . . . 0.0 111.361 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.302 10.0 m-85 -94.37 121.35 35.8 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 173.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 66.9 p -117.2 123.57 29.92 Favored Pre-proline 0 CA--C 1.532 0.254 0 C-N-CA 123.737 0.815 . . . . 0.0 111.432 -178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -59.83 107.22 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 124.082 3.188 . . . . 0.0 110.469 177.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -74.34 -7.6 53.39 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.202 0.601 . . . . 0.0 111.782 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.44 117.08 54.36 Favored 'Isoleucine or valine' 0 C--N 1.345 0.393 0 C-N-CA 125.329 1.451 . . . . 0.0 110.124 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -127.71 -53.6 1.34 Allowed 'General case' 0 C--N 1.339 0.113 0 C-N-CA 125.746 1.618 . . . . 0.0 107.524 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.24 -37.27 72.05 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.828 1.251 . . . . 0.0 110.408 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 45.9 t -119.65 61.71 0.83 Allowed 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 125.763 1.625 . . . . 0.0 107.784 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -55.9 -62.37 1.74 Allowed 'General case' 0 C--N 1.341 0.207 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -154.5 130.88 10.48 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 124.967 1.307 . . . . 0.0 108.795 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 50.0 mt -122.44 95.01 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -76.27 134.66 39.73 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.052 0.941 . . . . 0.0 109.932 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.02 144.15 12.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 C-N-CA 123.816 0.846 . . . . 0.0 110.463 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -69.7 -58.96 3.27 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.483 0.713 . . . . 0.0 109.124 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 117.05 -1.452 . . . . 0.0 109.462 179.341 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.134 0 C2'-C3'-O3' 117.667 2.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 1 O4'-C4'-C3' 109.869 4.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.147 0 P-O3'-C3' 124.205 3.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 1 O4'-C1'-N19 111.614 4.768 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.336 1 O4'-C1'-N19 113.159 6.699 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ' DA' . . . . . 0.816 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.538 3.365 3 C4'-C3'-C2' 97.207 -5.993 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 1 O4'-C1'-N19 111.355 4.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ' DT' . . . . . 0.406 ' H73' ' HB2' ' B' ' 49' ' ' LEU . . . . . . . . 0 C5'--C4' 1.533 2.793 2 O4'-C1'-N19 112.669 6.086 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O3'-P-O5' 97.381 -3.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.35 1 O4'-C1'-N19 111.843 5.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.186 0 O3'-P-O5' 109.613 2.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.451 1 O4'-C1'-N19 117.93 12.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.454 H2'' ' H71' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.118 1 O4'-C1'-N19 111.968 5.21 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.615 ' H72' ' HB2' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.541 3.693 0 P-O3'-C3' 124.072 3.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.335 1 O4'-C1'-N19 112.921 6.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 1.005 ' C7 ' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.54 3.597 1 O4'-C1'-N19 112.402 5.752 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 113.4 7.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.124 2 O4'-C1'-N19 112.704 6.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.823 1 P-O3'-C3' 126.022 5.268 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.824 2 O4'-C1'-N19 112.851 6.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.346 1 O4'-C1'-N19 112.224 5.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.887 3 O4'-C1'-N19 113.258 6.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.663 H5'' ' HG3' ' B' ' 64' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.581 1 O4'-C1'-N19 111.691 4.863 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 111.176 4.22 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 37.8 mtt . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp 65.79 105.41 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.955 1.702 . . . . 0.0 112.915 178.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm 57.94 71.78 0.56 Allowed 'General case' 0 C--N 1.343 0.288 0 C-N-CA 125.223 1.409 . . . . 0.0 110.292 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.97 170.59 10.93 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 125.178 1.391 . . . . 0.0 110.039 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -55.2 145.72 64.01 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 124.442 3.428 . . . . 0.0 112.919 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -78.29 81.75 4.63 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 58.4 mt -80.83 143.02 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 123.838 0.855 . . . . 0.0 110.88 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 96.6 p -139.54 -165.46 1.87 Allowed 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 127.025 2.13 . . . . 0.0 106.898 178.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -61.13 -47.87 84.28 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.01 82.75 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.028 0.931 . . . . 0.0 113.101 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -69.65 -46.48 66.06 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 118.323 0.51 . . . . 0.0 109.671 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' B' ' 16' ' ' LYS . 19.7 tp -61.11 -31.57 71.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.97 -43.98 98.0 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.071 0.85 . . . . 0.0 109.003 176.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.4 t -67.87 -60.36 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 124.471 1.108 . . . . 0.0 110.095 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 18.1 mmm -53.2 -41.56 65.4 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 125.035 1.334 . . . . 0.0 111.392 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' B' ' 12' ' ' LEU . 66.0 tttp -55.42 -50.64 69.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.607 1.563 . . . . 0.0 110.982 177.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.6 t -63.04 -48.77 86.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.339 0 C-N-CA 123.351 0.66 . . . . 0.0 110.279 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.8 mt -58.93 -41.81 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.978 0.911 . . . . 0.0 112.015 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -64.77 -17.64 64.36 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -71.0 -50.15 37.35 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.212 0.915 . . . . 0.0 108.746 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.427 ' CG ' ' O ' ' B' ' 23' ' ' SER . 6.3 t-160 -72.39 153.26 41.54 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.904 1.682 . . . . 0.0 109.679 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.421 ' H ' ' HD2' ' B' ' 21' ' ' HIS . 36.0 p -57.34 -58.42 8.34 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.427 ' O ' ' CG ' ' B' ' 21' ' ' HIS . 37.1 m -128.42 -155.31 0.69 Allowed 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 101.884 -3.376 . . . . 0.0 101.884 165.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.315 6.8 tt -151.54 139.38 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 122.608 2.458 . . . . 0.0 112.111 172.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -95.79 134.16 39.07 Favored 'General case' 0 N--CA 1.432 -1.356 0 N-CA-C 100.338 -3.949 . . . . 0.0 100.338 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.402 ' N ' ' OP2' ' A' ' 6' ' ' ' DA' . 0.2 OUTLIER -42.77 -34.61 0.95 Allowed 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 127.349 2.26 . . . . 0.0 112.876 -176.022 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 0.1 OUTLIER -56.48 -43.43 79.62 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.428 1.013 . . . . 0.0 111.847 178.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -67.96 -36.48 80.15 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 118.187 0.449 . . . . 0.0 110.802 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.87 -56.97 14.2 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 C-N-CA 123.612 0.765 . . . . 0.0 108.97 178.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.471 HD11 ' CG ' ' B' ' 45' ' ' GLN . 15.5 mt -61.53 -51.46 72.55 Favored 'Isoleucine or valine' 0 C--N 1.341 0.204 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' B' ' 27' ' ' ASN . 26.1 tptp -46.5 -40.73 13.01 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.29 0.636 . . . . 0.0 112.237 177.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -84.83 -61.73 1.71 Allowed 'General case' 0 C--N 1.344 0.339 0 C-N-CA 123.718 0.807 . . . . 0.0 112.671 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.29 -46.78 79.6 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.769 0.828 . . . . 0.0 113.201 -177.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 16.8 t -55.28 -34.11 63.81 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -72.73 -46.82 51.55 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.896 0.478 . . . . 0.0 110.99 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 65.0 p -71.4 -57.59 4.3 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.956 0.903 . . . . 0.0 112.289 -177.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 88.7 p -92.83 162.13 14.23 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.886 1.274 . . . . 0.0 112.064 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 63.3 p -66.12 -48.38 71.05 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.479 1.111 . . . . 0.0 110.419 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -22.54 123.14 0.03 OUTLIER 'General case' 0 C--N 1.343 0.302 0 C-N-CA 129.293 3.037 . . . . 0.0 114.268 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 96.0 p -72.05 166.11 43.96 Favored Pre-proline 0 CA--C 1.535 0.375 0 C-N-CA 124.165 0.986 . . . . 0.0 109.962 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -52.16 -42.66 58.22 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.134 2.556 . . . . 0.0 110.807 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -58.65 -49.26 78.17 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.886 1.275 . . . . 0.0 110.567 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 1.005 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 82.1 m -60.17 -44.49 94.99 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 123.527 0.731 . . . . 0.0 110.784 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -59.91 -64.59 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-O 119.069 -0.491 . . . . 0.0 109.901 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.471 ' CG ' HD11 ' B' ' 30' ' ' ILE . 21.9 mt-30 -45.03 -34.9 2.7 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.482 1.513 . . . . 0.0 114.733 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 92.1 m -77.51 -31.52 53.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.525 ' HG3' ' O ' ' B' ' 43' ' ' THR . 89.9 mtp -54.5 -51.35 65.39 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.606 HD12 ' CD2' ' B' ' 68' ' ' TYR . 1.0 OUTLIER -57.11 -50.92 71.29 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 124.951 1.301 . . . . 0.0 111.385 177.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.406 ' HB2' ' H73' ' A' ' 8' ' ' ' DT' . 3.2 tm? -53.95 -45.38 71.28 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.987 0.915 . . . . 0.0 111.112 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.615 ' HB2' ' H72' ' C' ' 14' ' ' ' DT' . 19.3 mmt180 -68.59 -49.16 61.45 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.779 -179.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.27 -49.68 17.07 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.139 0.976 . . . . 0.0 109.483 172.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 46.7 mt -62.95 -44.27 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 123.758 0.823 . . . . 0.0 111.572 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -60.95 -38.39 85.68 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.598 0.759 . . . . 0.0 110.528 178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -83.76 -17.39 41.31 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.768 1.227 . . . . 0.0 111.765 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.19 0.23 41.08 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 117.273 -1.848 . . . . 0.0 116.928 177.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.92 -51.56 68.74 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 121.198 2.499 . . . . 0.0 112.208 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.0 mp -116.72 167.35 11.16 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.614 1.966 . . . . 0.0 112.211 -176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -140.53 128.03 21.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.378 1.071 . . . . 0.0 109.554 177.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.25 148.65 22.0 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 119.016 0.825 . . . . 0.0 112.743 179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -146.19 119.11 8.72 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.466 1.106 . . . . 0.0 110.029 178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -83.12 96.83 8.52 Favored 'General case' 0 C--N 1.344 0.344 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -92.46 94.89 9.33 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.456 1.902 . . . . 0.0 112.914 -175.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 56.46 -89.45 0.01 OUTLIER Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.853 1.216 . . . . 0.0 112.839 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.663 ' HG3' H5'' ' C' ' 23' ' ' ' DT' . 9.6 ttm180 -64.28 -79.79 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.024 0.93 . . . . 0.0 109.905 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.816 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 32.8 m -133.93 173.6 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.949 0 N-CA-C 104.887 -2.264 . . . . 0.0 104.887 178.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.657 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -81.31 154.09 26.72 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 118.617 2.821 . . . . 0.0 118.617 -172.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 1.7 m -125.58 139.32 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.757 0 C-N-CA 126.167 1.787 . . . . 0.0 110.147 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' TYR . . . . . 0.606 ' CD2' HD12 ' B' ' 48' ' ' LEU 0.264 4.9 m-85 -94.36 121.22 35.67 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 105.811 -1.922 . . . . 0.0 105.811 179.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 74.9 p -101.16 110.16 60.52 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 126.409 1.884 . . . . 0.0 108.904 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -58.04 109.66 0.52 Allowed 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 123.538 2.825 . . . . 0.0 111.589 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -72.62 -12.83 61.2 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.553 0.741 . . . . 0.0 111.769 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.41 161.81 10.9 Favored 'Isoleucine or valine' 0 C--N 1.343 0.318 0 C-N-CA 126.2 1.8 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -58.36 156.99 9.24 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.829 1.252 . . . . 0.0 112.553 -179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.43 -41.5 94.13 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.111 0.964 . . . . 0.0 110.851 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 80.7 p -112.21 59.92 0.63 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.238 1.415 . . . . 0.0 107.973 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.0 -42.69 72.73 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.744 0.818 . . . . 0.0 110.426 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -76.42 -48.05 21.06 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.042 0.937 . . . . 0.0 111.171 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 58.3 mt -82.13 108.96 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -74.73 99.46 3.72 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 123.907 0.883 . . . . 0.0 109.555 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 28.8 m -86.76 148.76 4.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 124.767 1.227 . . . . 0.0 110.326 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 166.96 10.49 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.288 1.035 . . . . 0.0 112.209 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 26.5 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 116.806 -1.569 . . . . 0.0 110.786 179.544 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 0 C2'-C3'-O3' 117.594 2.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.184 0 C4'-C3'-C2' 99.422 -3.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.564 1 O4'-C1'-N19 111.796 4.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 0 P-O3'-C3' 123.838 3.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.491 1 O4'-C1'-N19 114.097 7.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ' DA' . . . . . 0.625 " H3'" ' CD1' ' B' ' 66' ' ' PHE . . . . . . . . 0 C5'--C4' 1.532 2.685 3 O4'-C1'-N19 112.066 5.332 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.642 1 P-O3'-C3' 124.965 4.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 2 P-O3'-C3' 125.792 5.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.395 3 O4'-C4'-C3' 111.091 5.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.426 1 O4'-C1'-N19 112.391 5.738 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 0 O3'-P-O5' 97.734 -3.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.632 1 O4'-C1'-N19 118.037 12.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.487 H5'' ' OE1' ' B' ' 11' ' ' GLU . . . . . . . . 0 C5'--C4' 1.533 2.798 0 C4'-C3'-C2' 100.618 -2.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.68 ' H71' ' O ' ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.535 3.044 1 P-O3'-C3' 125.183 4.569 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.71 2 C4'-C3'-C2' 98.035 -5.165 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 1.042 ' C7 ' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.543 3.966 1 O4'-C1'-N19 114.805 8.757 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 1 O4'-C1'-N19 111.687 4.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.529 2 O4'-C1'-N19 113.652 7.315 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.204 1 O4'-C1'-N19 112.461 5.826 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.129 0 P-O3'-C3' 123.609 3.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.022 1 O4'-C1'-N19 111.626 4.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 2 O4'-C1'-N19 111.734 4.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.012 1 O4'-C4'-C3' 110.352 4.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.609 4.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 77.0 mtm . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 111.277 0.103 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.94 98.75 3.65 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -80.27 -94.58 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 15.2 tt -167.25 87.7 0.77 Allowed Pre-proline 0 CA--C 1.533 0.311 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.17 124.08 15.4 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.376 2.718 . . . . 0.0 113.146 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.472 ' HB2' " H5'" ' C' ' 13' ' ' ' DA' . 23.3 mp0 -78.52 81.19 4.87 Favored 'General case' 0 C--N 1.341 0.198 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 61.7 mt -80.65 144.28 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 124.08 0.952 . . . . 0.0 111.349 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 83.3 p -137.02 -166.6 1.94 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.595 2.358 . . . . 0.0 106.421 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.28 -47.06 86.02 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -45.22 88.65 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.502 1.121 . . . . 0.0 113.71 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' B' ' 15' ' ' MET . 15.3 tt0 -65.31 -51.88 57.7 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.479 0.581 . . . . 0.0 110.548 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -62.9 -38.49 91.14 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.06 0.944 . . . . 0.0 111.406 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -54.05 -35.94 62.53 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 118.976 0.807 . . . . 0.0 111.311 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -71.84 -58.75 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 4.7 mtt -46.1 -43.57 14.86 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.297 1.439 . . . . 0.0 111.52 -178.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -48.7 -48.12 40.48 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 126.316 1.846 . . . . 0.0 110.857 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.0 t -69.93 -47.18 70.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 118.755 0.707 . . . . 0.0 110.285 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 6.6 mt -57.37 -43.02 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.834 1.254 . . . . 0.0 112.775 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -62.44 -25.17 67.82 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -68.91 -45.16 71.6 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -73.27 154.63 40.1 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.612 1.565 . . . . 0.0 109.279 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 45.7 t -60.45 -58.84 6.76 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 54.6 m -128.81 -154.8 0.66 Allowed 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 101.618 -3.475 . . . . 0.0 101.618 165.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.343 14.5 tt -150.87 134.23 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 122.73 2.514 . . . . 0.0 112.439 172.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -93.0 134.29 35.28 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 101.652 -3.462 . . . . 0.0 101.652 175.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -42.98 -31.03 0.46 Allowed 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -176.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -41.73 80.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 121.374 1.897 . . . . 0.0 111.728 179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -71.48 -38.92 71.18 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 123.32 0.648 . . . . 0.0 111.293 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -55.11 20.29 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.552 HD11 ' CG ' ' B' ' 45' ' ' GLN . 25.3 mt -57.78 -58.38 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 124.027 0.931 . . . . 0.0 108.703 177.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -43.4 -48.92 7.16 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.9 0.75 . . . . 0.0 112.957 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -74.8 -60.04 2.46 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.5 -27.7 67.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 92.3 p -69.86 -31.78 69.8 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.179 0.899 . . . . 0.0 110.806 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -67.74 -47.17 70.02 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.302 1.041 . . . . 0.0 110.495 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -81.07 -61.17 2.03 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 125.181 1.393 . . . . 0.0 112.092 -176.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 38.2 m -92.79 162.15 14.24 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 124.837 1.255 . . . . 0.0 111.182 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 41.8 p -62.05 -63.89 1.11 Allowed 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.207 1.003 . . . . 0.0 110.165 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -2.49 111.45 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 130.213 3.405 . . . . 0.0 115.184 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 89.4 p -69.66 170.35 9.83 Favored Pre-proline 0 CA--C 1.538 0.508 0 C-N-CA 124.437 1.095 . . . . 0.0 110.241 178.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -52.48 -47.81 25.12 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.996 2.464 . . . . 0.0 111.031 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.562 ' C ' ' H72' ' C' ' 16' ' ' ' DT' . 43.2 mttp -53.17 -50.78 63.91 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.919 1.288 . . . . 0.0 110.129 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 1.042 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 93.1 m -59.88 -53.92 52.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.668 0.787 . . . . 0.0 111.001 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -54.42 -64.79 0.4 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.366 0 CA-C-O 118.336 -0.84 . . . . 0.0 111.42 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.552 ' CG ' HD11 ' B' ' 30' ' ' ILE . 20.4 mt-30 -46.64 -30.78 2.48 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 124.458 1.103 . . . . 0.0 113.875 -178.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.68 ' O ' ' H71' ' C' ' 14' ' ' ' DT' . 59.6 m -86.85 -25.49 24.49 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.651 1.18 . . . . 0.0 113.686 -178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.644 ' HA ' ' H73' ' C' ' 14' ' ' ' DT' . 95.1 mtp -54.52 -48.2 72.22 Favored 'General case' 0 C--N 1.341 0.227 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 176.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -40.64 75.85 Favored 'General case' 0 N--CA 1.441 -0.895 0 C-N-CA 127.147 2.179 . . . . 0.0 112.995 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.8 tp -44.99 -46.26 11.05 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.969 1.307 . . . . 0.0 114.486 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.495 ' HB2' ' H72' ' C' ' 14' ' ' ' DT' . 9.6 mmp_? -71.28 -39.81 71.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.603 0.638 . . . . 0.0 110.342 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.465 ' HG ' ' HB3' ' B' ' 56' ' ' ALA . 9.5 mp -56.24 -33.24 65.22 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.51 0.724 . . . . 0.0 109.212 174.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.504 HD13 ' CD2' ' B' ' 59' ' ' HIS . 68.3 mt -69.31 -46.98 75.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 121.315 -0.865 . . . . 0.0 110.343 175.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -64.79 -46.81 80.48 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -91.13 -17.61 25.85 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.825 0.85 . . . . 0.0 112.193 -177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.51 23.04 9.77 Favored Glycine 0 CA--C 1.531 1.089 0 N-CA-C 120.641 3.017 . . . . 0.0 120.641 172.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.465 ' HB3' ' HG ' ' B' ' 51' ' ' LEU . . . -71.54 -47.01 57.91 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 123.562 3.681 . . . . 0.0 109.553 175.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 mp -127.27 162.0 27.25 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 127.152 2.181 . . . . 0.0 108.926 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -141.29 149.67 41.55 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 124.148 0.979 . . . . 0.0 110.882 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . 0.504 ' CD2' HD13 ' B' ' 52' ' ' ILE . 0.2 OUTLIER -93.7 148.42 22.13 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 119.011 0.823 . . . . 0.0 112.095 179.234 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -142.57 115.06 8.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.992 1.317 . . . . 0.0 110.173 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -83.42 98.18 9.36 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.398 1.079 . . . . 0.0 110.694 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -86.75 138.3 31.73 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 126.958 2.103 . . . . 0.0 108.14 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . -23.5 -48.32 0.02 OUTLIER Glycine 0 CA--C 1.531 1.067 0 C-N-CA 127.733 2.587 . . . . 0.0 114.883 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -66.36 -85.83 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.608 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 30.7 m -143.11 173.26 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.373 0 N-CA-C 102.712 -3.069 . . . . 0.0 102.712 177.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.625 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -80.94 153.71 27.38 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -174.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 2.1 m -123.11 139.5 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.157 0 C-N-CA 125.462 1.505 . . . . 0.0 109.475 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' TYR . . . . . . . . . . . . 0.25 18.8 m-85 -94.7 121.35 36.19 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 105.404 -2.072 . . . . 0.0 105.404 177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 61.1 p -103.28 120.61 51.46 Favored Pre-proline 0 CA--C 1.536 0.415 0 C-N-CA 125.921 1.688 . . . . 0.0 112.198 -177.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -62.98 113.41 2.0 Allowed 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 123.112 2.541 . . . . 0.0 110.724 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -77.97 -14.17 59.62 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.391 0.677 . . . . 0.0 111.348 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.15 137.06 46.36 Favored 'Isoleucine or valine' 0 C--N 1.345 0.395 0 C-N-CA 124.71 1.204 . . . . 0.0 109.671 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -140.73 -61.55 0.5 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.262 1.425 . . . . 0.0 108.19 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -40.98 99.34 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.287 1.035 . . . . 0.0 109.965 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 79.5 p -101.45 57.98 0.85 Allowed 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 125.135 1.374 . . . . 0.0 107.989 177.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -52.36 -64.58 0.77 Allowed 'General case' 0 C--N 1.342 0.24 0 C-N-CA 125.073 1.349 . . . . 0.0 109.734 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -161.31 129.17 4.24 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.767 1.227 . . . . 0.0 109.856 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 11.5 mt -112.76 95.08 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.3 1.44 . . . . 0.0 107.378 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -79.44 99.7 7.33 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 86.5 t -74.54 113.1 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt 69.76 79.69 0.19 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.593 1.157 . . . . 0.0 109.684 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.346 -1.311 . . . . 0.0 109.974 179.807 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 O4'-C1'-N19 110.697 3.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.483 2 C4'-C3'-C2' 98.159 -5.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.153 0 O4'-C1'-N19 110.452 3.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.938 1 O4'-C1'-N19 111.427 4.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 1 O4'-C1'-N19 113.291 6.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ' DA' . . . . . 0.759 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.535 3.026 1 O5'-C5'-C4' 117.517 5.226 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.312 2 O4'-C1'-N19 112.739 6.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ' DT' . . . . . 0.499 ' H72' HD23 ' B' ' 49' ' ' LEU . . . . . . . . 0 C5'--C4' 1.531 2.487 2 O4'-C1'-N19 112.363 5.703 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 3 P-O3'-C3' 125.131 4.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.449 0 P-O3'-C3' 122.947 2.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.041 1 O4'-C1'-N19 111.704 4.88 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 1 O4'-C1'-N19 113.406 7.007 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.586 " H5'" ' HB2' ' B' ' 6' ' ' GLN . . . . . . . . 0 O4'--C4' 1.415 -2.86 1 C5'-C4'-C3' 108.586 -4.076 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.676 ' H72' ' HB2' ' B' ' 50' ' ' ARG . . . . . . . . 1 C5'--C4' 1.544 4.102 1 P-O3'-C3' 125.602 4.918 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . 1.017 ' N7 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.542 3.902 1 O4'-C1'-N19 112.133 5.416 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 0.931 ' C7 ' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.54 3.602 1 O4'-C1'-N19 115.257 9.322 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.74 1 O4'-C1'-N19 111.708 4.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.239 2 O4'-C1'-N19 113.032 6.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.109 2 O4'-C1'-N19 114.745 8.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.733 0 P-O3'-C3' 123.879 3.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 1 P-O3'-C3' 124.857 4.297 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 2 O4'-C1'-N19 112.977 6.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.421 " C2'" ' H71' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.749 1 O4'-C1'-N19 112.372 5.715 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.421 ' H71' " C2'" ' C' ' 23' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.955 1 O4'-C1'-N19 112.872 6.34 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 91.2 mtp . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.2 tttp 72.9 79.0 0.14 Allowed 'General case' 0 C--N 1.342 0.26 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -82.43 -128.47 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.508 1.123 . . . . 0.0 111.188 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.61 -61.29 8.17 Favored Pre-proline 0 CA--C 1.537 0.447 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.5 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.07 142.16 37.74 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 121.964 1.776 . . . . 0.0 110.191 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.586 ' HB2' " H5'" ' C' ' 13' ' ' ' DA' . 37.8 mt-30 -77.92 84.58 4.2 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.556 0.742 . . . . 0.0 109.28 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 45.7 mt -80.37 139.59 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.57 1.148 . . . . 0.0 111.214 -178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.7 p -129.55 -167.75 1.84 Allowed 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 127.564 2.346 . . . . 0.0 106.699 177.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -62.46 -51.52 67.18 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.69 -39.43 68.11 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.511 1.124 . . . . 0.0 113.468 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.72 -45.88 64.11 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 118.299 0.5 . . . . 0.0 110.516 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.65 -41.96 99.34 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.963 0.505 . . . . 0.0 110.215 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.01 -47.07 68.59 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 123.608 0.763 . . . . 0.0 112.923 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 22.0 m -71.46 -47.09 60.65 Favored 'Isoleucine or valine' 0 C--N 1.342 0.245 0 CA-C-N 118.614 0.643 . . . . 0.0 111.959 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 4.7 mmt -46.78 -38.64 10.43 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.954 1.302 . . . . 0.0 112.743 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -59.95 -42.83 94.92 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.766 0.826 . . . . 0.0 111.85 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.41 -37.11 79.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.332 0 CA-C-N 118.853 0.752 . . . . 0.0 109.771 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . 0.469 HG23 HG22 ' B' ' 24' ' ' ILE . 3.5 mt -67.54 -44.85 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.199 0.599 . . . . 0.0 109.451 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -70.92 -23.89 62.35 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.015 0.926 . . . . 0.0 111.76 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -65.7 -47.81 74.12 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 176.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -76.22 163.66 26.84 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.055 1.342 . . . . 0.0 107.988 176.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -61.5 -59.27 5.49 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 74.5 m -129.74 -154.74 0.65 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 102.449 -3.167 . . . . 0.0 102.449 164.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.469 HG22 HG23 ' B' ' 18' ' ' ILE 0.374 8.0 tt -150.99 152.07 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 122.207 2.276 . . . . 0.0 113.187 173.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -111.26 145.01 39.52 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 101.968 -3.345 . . . . 0.0 101.968 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -43.14 -32.98 0.8 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -45.32 89.82 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 121.166 1.803 . . . . 0.0 111.141 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -68.05 -39.04 83.12 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 119.278 -0.391 . . . . 0.0 110.06 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.04 -58.05 9.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.1 mt -59.19 -52.56 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.705 0.802 . . . . 0.0 109.67 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -45.55 -41.94 10.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.563 0.745 . . . . 0.0 112.533 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.89 -57.64 3.55 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.093 0.957 . . . . 0.0 112.669 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 8.2 mp -55.86 -54.68 41.58 Favored 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 126.319 1.848 . . . . 0.0 111.634 -177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 60.1 p -57.98 -31.05 66.54 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.387 0.675 . . . . 0.0 112.663 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -66.12 -49.28 68.04 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.951 0.9 . . . . 0.0 109.785 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 68.0 p -77.7 -61.6 1.94 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.274 1.43 . . . . 0.0 112.729 -177.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 93.9 p -92.7 162.28 14.21 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.208 1.403 . . . . 0.0 112.113 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 87.4 m -59.26 -63.68 1.22 Allowed 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.423 1.089 . . . . 0.0 109.211 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -4.16 111.93 0.01 OUTLIER 'General case' 0 C--N 1.345 0.397 0 C-N-CA 129.564 3.146 . . . . 0.0 115.141 177.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 95.6 p -65.99 167.33 12.12 Favored Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 124.561 1.144 . . . . 0.0 110.312 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -50.14 -37.56 48.71 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 123.42 2.747 . . . . 0.0 112.038 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.695 ' C ' ' H72' ' C' ' 16' ' ' ' DT' . 72.8 mmtt -66.63 -51.57 54.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.176 0.99 . . . . 0.0 110.54 178.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.931 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 62.0 m -56.6 -22.39 33.46 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.437 1.495 . . . . 0.0 112.196 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 71.1 mt -83.56 -49.92 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 123.995 0.918 . . . . 0.0 109.105 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -60.77 -33.48 73.03 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.116 1.366 . . . . 0.0 113.386 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 1.017 HG21 ' N7 ' ' C' ' 15' ' ' ' DG' . 13.5 t -68.26 -41.25 81.35 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.477 ' HA ' ' H73' ' C' ' 14' ' ' ' DT' . 53.2 mtt -53.65 -59.46 4.58 Favored 'General case' 0 C--N 1.341 0.238 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.405 HD13 ' CZ ' ' B' ' 68' ' ' TYR . 18.5 mt -52.41 -40.51 62.22 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 127.859 2.464 . . . . 0.0 111.084 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.499 HD23 ' H72' ' A' ' 8' ' ' ' DT' . 2.9 tm? -62.41 -49.79 74.11 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.396 0.678 . . . . 0.0 110.578 178.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.676 ' HB2' ' H72' ' C' ' 14' ' ' ' DT' . 3.8 mmt85 -70.93 -38.47 72.9 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.498 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.432 ' HB3' ' HB3' ' B' ' 56' ' ' ALA . 6.6 mp -52.74 -49.3 65.73 Favored 'General case' 0 N--CA 1.423 -1.786 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 173.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.454 HD13 ' CD2' ' B' ' 59' ' ' HIS . 92.3 mt -62.93 -38.7 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 118.546 0.612 . . . . 0.0 112.525 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -64.58 -46.47 82.58 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.501 0.591 . . . . 0.0 111.347 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -84.87 -12.77 52.78 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.403 1.081 . . . . 0.0 113.163 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.51 7.36 37.15 Favored Glycine 0 CA--C 1.533 1.169 0 CA-C-O 116.349 -2.362 . . . . 0.0 118.675 176.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' B' ' 51' ' ' LEU . . . -58.3 -55.09 39.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 122.445 3.123 . . . . 0.0 111.346 175.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 8.1 mp -120.1 167.28 12.37 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 127.526 2.331 . . . . 0.0 112.163 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -140.89 127.33 19.95 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.541 1.136 . . . . 0.0 109.961 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . 0.454 ' CD2' HD13 ' B' ' 52' ' ' ILE . 0.4 OUTLIER -94.41 145.37 24.82 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 119.448 1.022 . . . . 0.0 113.377 179.198 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -146.64 133.29 19.89 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.865 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -82.94 98.92 9.47 Favored 'General case' 0 C--N 1.344 0.335 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -86.81 80.93 8.34 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.778 1.631 . . . . 0.0 111.997 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.16 -84.67 0.05 OUTLIER Glycine 0 CA--C 1.526 0.768 0 C-N-CA 124.447 1.022 . . . . 0.0 112.716 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -65.42 -78.39 0.05 Allowed 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.779 0.832 . . . . 0.0 109.788 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.759 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 29.9 m -134.89 174.18 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 N-CA-C 104.112 -2.551 . . . . 0.0 104.112 178.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.67 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -80.66 154.13 27.52 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 118.605 2.817 . . . . 0.0 118.605 -172.416 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -119.81 134.88 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.409 0 CA-C-N 111.77 -2.468 . . . . 0.0 109.733 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' TYR . . . . . 0.405 ' CZ ' HD13 ' B' ' 48' ' ' LEU 0.314 33.2 m-85 -94.28 127.17 39.99 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 176.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 71.4 p -114.34 117.09 43.59 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 123.608 0.763 . . . . 0.0 112.089 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -62.21 105.43 0.4 Allowed 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 124.28 3.32 . . . . 0.0 111.182 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -75.68 -10.39 59.4 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.534 0.734 . . . . 0.0 112.168 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.4 161.21 11.39 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 C-N-CA 125.564 1.546 . . . . 0.0 110.971 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -85.73 161.74 19.04 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.576 1.151 . . . . 0.0 110.604 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.76 -33.68 5.41 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.808 1.643 . . . . 0.0 111.617 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 40.9 m -58.21 -38.82 77.54 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.873 0.869 . . . . 0.0 111.579 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -65.27 -49.03 71.15 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.59 0.756 . . . . 0.0 111.34 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -71.24 -65.24 0.77 Allowed 'General case' 0 C--N 1.342 0.263 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 45.8 mt -86.79 94.69 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -78.92 99.6 6.87 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.805 0.842 . . . . 0.0 109.284 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 12.8 p -74.3 148.4 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.33 1.052 . . . . 0.0 110.295 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.47 -35.31 0.09 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.387 1.075 . . . . 0.0 111.726 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 C--O 1.251 1.134 0 C-N-CA 125.159 1.384 . . . . 0.0 110.147 -179.408 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 C2'-C3'-O3' 117.224 2.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.047 1 O4'-C4'-C3' 110.048 4.448 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.242 0 P-O3'-C3' 124.034 3.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.753 0 P-O3'-C3' 123.528 3.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.041 0 P-O3'-C3' 124.35 3.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ' DA' . . . . . 0.867 " C2'" HG21 ' B' ' 26' ' ' THR . . . . . . . . 0 C5'--C4' 1.533 2.788 3 O4'-C1'-N19 116.995 11.494 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ' DT' . . . . . 0.973 H5'' ' CE2' ' B' ' 66' ' ' PHE . . . . . . . . 0 O4'--C4' 1.41 -3.25 3 O4'-C1'-N19 114.91 8.888 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ' DT' . . . . . 0.434 ' C6 ' HD23 ' B' ' 49' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 3.228 3 O4'-C1'-N19 112.101 5.376 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 1 P-O3'-C3' 126.183 5.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.082 0 P-O3'-C3' 124.226 3.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.01 0 P-O3'-C3' 124.339 3.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.569 1 O4'-C1'-N19 111.571 4.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 0 O4'-C1'-N19 110.641 3.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 1.132 ' H73' ' HD2' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 3.056 2 P-O3'-C3' 125.582 4.901 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . 0.964 ' N7 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.532 2.678 0 C5'-C4'-O4' 103.49 -3.694 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 1.066 ' H73' ' CA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.535 2.955 2 O4'-C1'-N19 114.832 8.79 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 3 O4'-C1'-N19 111.888 5.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.557 2 P-O3'-C3' 125.126 4.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 2 O4'-C1'-N19 113.166 6.707 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.435 1 O4'-C1'-N19 111.203 4.254 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.409 -3.349 1 O4'-C1'-N19 112.157 5.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.414 " H4'" ' O ' ' B' ' 64' ' ' ARG . . . . . . . . 0 P--O5' 1.621 2.766 1 P-O3'-C3' 124.828 4.274 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 3 O4'-C1'-N19 111.622 4.778 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 1 O4'-C1'-N19 111.38 4.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 59.8 ttm . . . . . 0 N--CA 1.472 0.648 0 CA-C-O 120.378 0.132 . . . . 0.0 110.695 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -82.24 -73.31 0.4 Allowed 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.734 0.814 . . . . 0.0 108.932 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt 54.42 41.85 31.73 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.398 1.479 . . . . 0.0 111.275 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 tt -151.63 58.85 2.9 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 124.477 1.111 . . . . 0.0 109.803 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -67.56 157.16 63.04 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 123.442 2.762 . . . . 0.0 111.516 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.89 104.15 2.85 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.176 0.99 . . . . 0.0 108.65 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 mm -121.4 151.69 24.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 125.248 1.419 . . . . 0.0 108.896 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -144.27 -178.06 5.77 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 126.907 2.083 . . . . 0.0 107.555 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -63.05 -45.13 93.65 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.2 96.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.375 1.07 . . . . 0.0 111.847 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -75.07 -26.75 59.58 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.053 0.541 . . . . 0.0 110.594 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.95 -36.9 84.62 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -56.72 -40.03 74.97 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.193 0.597 . . . . 0.0 111.225 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.5 m -76.71 -41.17 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 122.62 0.368 . . . . 0.0 110.665 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.432 ' HB3' ' CZ3' ' B' ' 19' ' ' TRP . 0.3 OUTLIER -58.02 -37.17 73.82 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.737 0.815 . . . . 0.0 110.368 177.426 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.6 -45.47 85.25 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.459 1.104 . . . . 0.0 110.001 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.623 ' O ' ' HD2' ' B' ' 21' ' ' HIS . 1.5 t -62.32 -39.01 82.61 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 C-N-CA 123.755 0.822 . . . . 0.0 110.161 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.31 -49.63 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . 0.432 ' CZ3' ' HB3' ' B' ' 15' ' ' MET . 7.7 m0 -68.23 -24.32 64.9 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.837 -0.601 . . . . 0.0 112.445 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -65.3 -46.02 82.06 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.623 ' HD2' ' O ' ' B' ' 17' ' ' VAL . 62.6 m-70 -76.54 158.41 31.22 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.991 1.316 . . . . 0.0 109.052 177.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 44.0 t -59.34 -58.97 6.28 Favored 'General case' 0 C--N 1.35 0.62 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 65.9 p -129.23 -154.77 0.66 Allowed 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 102.338 -3.208 . . . . 0.0 102.338 164.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.341 8.9 tt -151.0 152.35 11.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 CA-C-N 120.803 1.638 . . . . 0.0 110.555 172.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -107.24 143.78 34.98 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 101.374 -3.565 . . . . 0.0 101.374 174.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.867 HG21 " C2'" ' A' ' 6' ' ' ' DA' . 0.2 OUTLIER -42.63 -34.24 0.85 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.764 2.826 . . . . 0.0 112.31 -178.223 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -56.48 6.77 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.763 1.62 . . . . 0.0 109.291 174.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -51.61 -33.52 33.31 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.482 0.713 . . . . 0.0 111.05 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -59.73 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 176.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 12.6 mt -59.02 -52.17 63.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 118.814 0.734 . . . . 0.0 110.829 179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -46.29 -53.4 10.82 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.155 0.982 . . . . 0.0 113.183 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.43 -56.31 13.17 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.461 0.573 . . . . 0.0 112.28 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.404 HD23 HG23 ' B' ' 44' ' ' ILE . 7.3 mp -53.82 -40.99 66.86 Favored 'General case' 0 N--CA 1.432 -1.36 0 C-N-CA 126.948 2.099 . . . . 0.0 111.951 -178.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 96.9 p -69.28 -35.26 75.85 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.019 0.928 . . . . 0.0 112.522 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -72.42 -46.57 54.55 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.193 0.597 . . . . 0.0 110.624 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 51.4 p -70.83 -63.48 1.09 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.253 1.021 . . . . 0.0 111.864 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.2 m -92.9 162.73 13.96 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.222 1.409 . . . . 0.0 111.698 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 44.2 p -66.83 -106.66 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.992 1.317 . . . . 0.0 109.428 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 15.3 m0 56.45 -131.05 1.71 Allowed 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.399 1.0 . . . . 0.0 111.181 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 27.8 t 177.02 156.01 0.44 Allowed Pre-proline 0 CA--C 1.534 0.364 0 C-N-CA 126.739 2.016 . . . . 0.0 106.9 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -49.08 -36.49 35.82 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.08 2.52 . . . . 0.0 112.491 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.843 ' O ' ' C7 ' ' C' ' 16' ' ' ' DT' . 65.2 mttp -77.29 -36.47 54.19 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.409 1.083 . . . . 0.0 111.396 178.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 1.066 ' CA ' ' H73' ' C' ' 16' ' ' ' DT' . 42.3 m -64.32 -49.31 72.24 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 123.145 0.578 . . . . 0.0 110.645 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.404 HG23 HD23 ' B' ' 33' ' ' LEU . 30.6 mt -45.94 -38.86 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 125.337 1.455 . . . . 0.0 112.308 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -52.79 -37.41 59.68 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.253 1.021 . . . . 0.0 113.511 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.964 HG21 ' N7 ' ' C' ' 15' ' ' ' DG' . 3.9 t -68.69 -42.63 77.52 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.612 1.096 . . . . 0.0 112.066 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 56.7 mtt -57.73 -46.5 84.35 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.96 -36.92 80.67 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.428 0.691 . . . . 0.0 109.346 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' B' ' 53' ' ' LYS . 0.9 OUTLIER -73.91 -29.5 62.08 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.911 0.778 . . . . 0.0 112.942 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 1.132 ' HD2' ' H73' ' C' ' 14' ' ' ' DT' . 3.7 mmp_? -59.8 -43.75 94.31 Favored 'General case' 0 C--N 1.342 0.281 0 CA-C-N 120.372 1.442 . . . . 0.0 107.991 176.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.574 ' HB3' ' HB3' ' B' ' 56' ' ' ALA . 3.4 mp -66.03 -65.51 0.67 Allowed 'General case' 0 N--CA 1.427 -1.587 0 C-N-CA 128.952 2.901 . . . . 0.0 110.614 176.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.78 -19.96 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 126.796 2.038 . . . . 0.0 112.912 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' B' ' 49' ' ' LEU . 26.9 ttpp -55.0 -39.3 68.91 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -105.4 -2.81 23.37 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.083 1.353 . . . . 0.0 111.25 176.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.54 32.06 8.42 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-O 117.484 -1.731 . . . . 0.0 113.245 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.574 ' HB3' ' HB3' ' B' ' 51' ' ' LEU . . . -48.36 -43.4 33.52 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.326 1.563 . . . . 0.0 114.374 -172.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.75 153.02 24.06 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -90.01 129.46 36.32 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -94.19 129.17 40.9 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.434 1.494 . . . . 0.0 109.123 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -146.2 110.97 5.21 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 123.449 0.468 . . . . 0.0 110.191 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.44 ' HA ' ' CB ' ' B' ' 66' ' ' PHE . 42.6 pttt -80.04 93.03 5.68 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 124.124 1.916 . . . . 0.0 106.955 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -99.24 137.38 37.83 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 110.942 -2.845 . . . . 0.0 110.855 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 15.21 -77.22 0.0 OUTLIER Glycine 0 C--N 1.344 1.011 0 C-N-CA 129.18 3.276 . . . . 0.0 115.396 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.414 ' O ' " H4'" ' C' ' 22' ' ' ' DT' . 24.3 mmt180 -69.78 -82.19 0.04 OUTLIER 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.478 0.711 . . . . 0.0 111.262 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.633 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 1.3 m -135.38 168.59 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 N-CA-C 105.432 -2.062 . . . . 0.0 105.432 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.973 ' CE2' H5'' ' A' ' 7' ' ' ' DT' . 0.0 OUTLIER -81.6 145.1 30.8 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 120.494 1.497 . . . . 0.0 113.889 -172.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.49 139.46 24.37 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 127.693 2.397 . . . . 0.0 111.982 -177.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' TYR . . . . . 0.549 ' CE2' HG23 ' B' ' 26' ' ' THR . 30.8 m-85 -97.11 131.09 44.22 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 176.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 72.7 p -131.56 125.19 20.48 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 123.526 0.73 . . . . 0.0 109.625 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -48.63 96.75 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 124.734 3.622 . . . . 0.0 114.382 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -73.96 -17.83 60.96 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.67 0.788 . . . . 0.0 110.171 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.405 ' H ' ' CD1' ' B' ' 72' ' ' ILE . 0.0 OUTLIER -112.19 159.95 11.88 Favored 'Isoleucine or valine' 0 C--N 1.344 0.346 0 C-N-CA 126.43 1.892 . . . . 0.0 110.127 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.96 162.25 28.24 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.385 1.074 . . . . 0.0 111.795 -178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.84 -48.92 74.85 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.995 0.918 . . . . 0.0 109.355 178.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 50.7 m -87.2 22.27 2.15 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.399 1.08 . . . . 0.0 111.867 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -66.94 -37.08 83.63 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.264 0.626 . . . . 0.0 109.602 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -89.17 -61.58 1.67 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.801 1.241 . . . . 0.0 109.62 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 38.6 mt -84.35 107.24 15.35 Favored 'Isoleucine or valine' 0 C--N 1.34 0.184 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -74.81 99.73 3.84 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.289 0.636 . . . . 0.0 109.725 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.59 139.18 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.771 0.828 . . . . 0.0 110.185 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -89.82 -52.2 5.1 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 124.385 1.074 . . . . 0.0 108.319 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.259 -1.353 . . . . 0.0 109.215 179.434 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.143 0 C2'-C3'-O3' 117.701 2.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.821 0 P-O3'-C3' 123.85 3.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.984 0 P-O3'-C3' 124.365 3.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.932 0 O4'-C4'-C3' 109.031 3.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ' DT' . . . . . 0.41 " O3'" HG12 ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.535 3.055 2 O4'-C1'-N19 112.692 6.115 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ' DA' . . . . . 0.605 " H3'" ' HB3' ' B' ' 66' ' ' PHE . . . . . . . . 0 C5'--C4' 1.532 2.601 2 P-O3'-C3' 125.16 4.55 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ' DT' . . . . . 0.562 ' H72' ' OH ' ' B' ' 68' ' ' TYR . . . . . . . . 0 C5'--C4' 1.535 3.037 2 O4'-C1'-N19 115.149 9.186 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.492 1 P-O3'-C3' 126.546 5.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.915 3 P-O3'-C3' 126.476 5.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.201 3 O4'-C1'-N19 113.645 7.306 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.077 0 P-O3'-C3' 124.392 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.972 1 O4'-C1'-N19 112.653 6.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 1.092 H5'' ' O ' ' B' ' 6' ' ' GLN . . . . . . . . 0 C5'--C4' 1.538 3.395 2 O4'-C1'-N19 111.906 5.133 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 1.021 ' H72' ' HG2' ' B' ' 50' ' ' ARG . . . . . . . . 0 C5'--C4' 1.54 3.658 0 O4'-C1'-N19 110.73 3.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . 0.833 ' N7 ' HG21 ' B' ' 46' ' ' THR . . . . . . . . 0 C5'--C4' 1.539 3.553 2 O4'-C1'-N19 111.368 4.46 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 0.982 ' H73' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.535 3.016 1 O4'-C1'-N19 113.341 6.927 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.434 1 O4'-C1'-N19 114.471 8.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -1.995 0 O3'-P-O5' 96.671 -3.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.175 1 O4'-C1'-N19 112.417 5.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 2 C5'-C4'-C3' 106.826 -5.249 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 0 P-O3'-C3' 124.389 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.658 0 O4'-C1'-N19 110.632 3.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.622 2 O4'-C1'-N19 111.426 4.532 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.586 2 O4'-C1'-N19 111.55 4.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.474 0.725 0 CA-C-O 120.58 0.229 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -136.52 157.82 45.89 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.882 1.273 . . . . 0.0 109.819 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.48 90.97 3.3 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 78.4 mt -128.3 92.93 39.95 Favored Pre-proline 0 CA--C 1.536 0.431 0 N-CA-C 106.946 -1.502 . . . . 0.0 106.946 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -56.93 146.31 80.3 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 124.018 3.145 . . . . 0.0 112.873 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 1.092 ' O ' H5'' ' C' ' 13' ' ' ' DA' . 24.3 tt0 -81.75 93.38 6.8 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.943 0.897 . . . . 0.0 109.095 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 3.2 mm -80.86 141.64 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.783 1.233 . . . . 0.0 108.742 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -123.72 176.04 6.5 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.393 1.877 . . . . 0.0 107.39 177.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.24 -48.59 80.79 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.26 74.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.861 0.864 . . . . 0.0 111.227 178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.637 ' OE1' " H3'" ' C' ' 13' ' ' ' DA' . 8.1 tt0 -67.69 -60.19 2.74 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -49.95 -38.68 37.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 125.06 1.344 . . . . 0.0 112.102 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -62.01 -47.83 83.0 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.873 0.76 . . . . 0.0 110.794 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 51.4 t -67.88 -57.09 10.58 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 C-N-CA 124.145 0.978 . . . . 0.0 109.387 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.446 ' HB3' ' CZ3' ' B' ' 19' ' ' TRP . 79.7 mmm -48.05 -42.62 28.94 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 125.562 1.545 . . . . 0.0 111.685 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -62.82 -43.33 99.09 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 125.635 1.574 . . . . 0.0 109.915 177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 t -65.03 -36.76 78.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.181 0.593 . . . . 0.0 109.435 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -69.36 -42.83 81.32 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . 0.446 ' CZ3' ' HB3' ' B' ' 15' ' ' MET . 8.0 m0 -66.28 -24.61 66.59 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 126.668 1.987 . . . . 0.0 111.134 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -69.63 -47.46 63.34 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -72.91 164.25 26.93 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.98 1.312 . . . . 0.0 107.715 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 33.3 p -64.94 -60.41 3.09 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 105.556 -2.016 . . . . 0.0 105.556 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 72.3 m -130.87 -155.58 0.7 Allowed 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 103.375 -2.824 . . . . 0.0 103.375 160.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.29 9.2 tt -151.53 151.54 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 121.527 1.967 . . . . 0.0 112.567 174.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -99.2 178.32 4.94 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 104.413 -2.44 . . . . 0.0 104.413 172.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 7.1 m -63.66 -56.04 18.79 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.455 ' O ' ' CB ' ' B' ' 31' ' ' LYS . 2.9 m120 -69.26 -16.69 63.64 Favored 'General case' 0 C--N 1.338 0.083 0 C-N-CA 117.295 -1.762 . . . . 0.0 114.34 -177.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -72.66 -43.4 63.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.66 -54.24 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-O 118.902 -0.571 . . . . 0.0 109.742 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 9.4 mt -54.17 -54.71 18.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 CA-C-N 118.579 0.627 . . . . 0.0 109.948 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' B' ' 27' ' ' ASN . 17.1 tppt? -50.46 -49.09 56.11 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -69.31 -56.22 8.16 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.5 -41.28 63.27 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.051 0.94 . . . . 0.0 111.678 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 66.6 m -61.68 -29.33 70.02 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -73.58 -48.94 28.92 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.401 0.546 . . . . 0.0 110.208 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 47.3 p -70.98 -64.61 0.87 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.348 1.059 . . . . 0.0 111.288 -178.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m -92.87 162.33 14.14 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 125.425 1.49 . . . . 0.0 111.418 -179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 80.5 m -58.45 -68.12 0.29 Allowed 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.274 1.029 . . . . 0.0 109.842 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 3.5 m0 -2.59 113.57 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 129.342 3.057 . . . . 0.0 116.579 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 60.2 p -76.93 176.46 3.43 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 124.481 1.112 . . . . 0.0 109.221 177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -52.43 -42.53 60.52 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 123.038 2.492 . . . . 0.0 112.964 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.438 ' O ' ' H71' ' C' ' 16' ' ' ' DT' . 3.0 mppt? -63.21 -53.43 53.24 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.839 0.856 . . . . 0.0 109.508 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.982 ' HA ' ' H73' ' C' ' 16' ' ' ' DT' . 8.0 m -50.36 -36.02 30.59 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.478 1.911 . . . . 0.0 114.109 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -77.67 -44.57 29.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 124.354 1.062 . . . . 0.0 112.371 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -50.19 -26.04 4.21 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.833 HG21 ' N7 ' ' C' ' 15' ' ' ' DG' . 12.4 t -68.73 -46.35 69.14 Favored 'General case' 0 C--N 1.343 0.288 0 CA-C-N 119.757 1.162 . . . . 0.0 111.913 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.464 ' N ' HG23 ' B' ' 46' ' ' THR . 64.9 mtm -53.58 -59.63 4.35 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -177.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.441 HD22 ' CE2' ' B' ' 68' ' ' TYR . 42.0 mt -46.54 -58.21 4.01 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.778 1.231 . . . . 0.0 110.891 177.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -53.68 -40.38 65.9 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.293 1.437 . . . . 0.0 112.353 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 1.021 ' HG2' ' H72' ' C' ' 14' ' ' ' DT' . 12.5 tpp180 -77.47 -40.22 43.89 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 124.321 1.048 . . . . 0.0 110.065 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.86 -33.28 74.93 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 123.542 0.737 . . . . 0.0 109.823 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.42 -38.16 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.091 0.956 . . . . 0.0 110.143 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -75.7 -46.34 31.78 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.892 0.877 . . . . 0.0 111.36 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -77.78 -17.64 57.28 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.491 1.117 . . . . 0.0 112.195 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.11 14.96 55.35 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 116.786 -2.119 . . . . 0.0 117.503 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.81 -34.08 64.44 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 121.874 2.837 . . . . 0.0 110.424 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' B' ' 70' ' ' PRO . 84.5 mt -131.58 164.28 26.2 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.431 1.493 . . . . 0.0 108.992 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -141.51 136.67 31.43 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.395 1.078 . . . . 0.0 111.015 176.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 143.25 26.53 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-N 118.915 0.78 . . . . 0.0 112.087 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -146.36 133.75 20.74 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 123.519 0.727 . . . . 0.0 110.502 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -83.16 119.77 24.95 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.853 0.861 . . . . 0.0 109.721 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -127.18 78.69 1.83 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.415 1.486 . . . . 0.0 109.486 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 40.24 -85.8 0.01 OUTLIER Glycine 0 CA--C 1.531 1.078 0 C-N-CA 126.736 2.112 . . . . 0.0 115.388 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -51.92 -53.7 37.95 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.153 1.781 . . . . 0.0 113.341 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.41 HG12 " O3'" ' A' ' 5' ' ' ' DT' . 0.6 OUTLIER -152.88 149.62 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.109 0 N-CA-C 104.25 -2.5 . . . . 0.0 104.25 -178.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.605 ' HB3' " H3'" ' A' ' 6' ' ' ' DA' . 0.1 OUTLIER -81.28 152.71 27.46 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 103.572 -2.751 . . . . 0.0 103.572 173.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 87.1 t -125.78 138.36 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.37 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.961 -178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' TYR . . . . . 0.562 ' OH ' ' H72' ' A' ' 7' ' ' ' DT' 0.265 33.9 m-85 -93.31 120.59 33.77 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 101.768 -3.419 . . . . 0.0 101.768 175.11 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 80.4 p -112.61 135.67 21.53 Favored Pre-proline 0 N--CA 1.451 -0.392 0 C-N-CA 124.927 1.291 . . . . 0.0 108.624 -177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . 0.526 ' HA ' HD23 ' B' ' 57' ' ' LEU . 72.0 Cg_endo -73.73 116.8 4.8 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 122.419 2.079 . . . . 0.0 111.331 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -62.23 -29.57 70.49 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.886 1.674 . . . . 0.0 111.271 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 5.2 pt -112.13 116.8 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 126.1 1.76 . . . . 0.0 108.652 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -132.12 -40.13 1.04 Allowed 'General case' 0 C--N 1.34 0.175 0 C-N-CA 126.081 1.752 . . . . 0.0 109.635 -178.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.09 -50.64 65.35 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 69.0 m -72.48 -62.38 1.46 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.43 1.092 . . . . 0.0 108.998 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 50.73 60.58 3.76 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.371 1.469 . . . . 0.0 109.702 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 10.9 t80 63.91 115.79 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.689 1.996 . . . . 0.0 112.166 -178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 mt -89.35 97.15 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.75 121.57 21.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.896 0.879 . . . . 0.0 109.032 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 14.4 p -74.35 138.03 21.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 C-N-CA 123.54 0.736 . . . . 0.0 109.245 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -138.1 -60.86 0.62 Allowed 'General case' 0 C--N 1.339 0.132 0 C-N-CA 124.412 1.085 . . . . 0.0 109.105 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--O 1.252 1.188 0 CA-C-O 117.35 -1.309 . . . . 0.0 109.979 179.597 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.965 0 O4'-C4'-C3' 108.857 3.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 0 P-O3'-C3' 124.265 3.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 0 P-O3'-C3' 124.348 3.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.38 4.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.371 1 O4'-C1'-N19 112.839 6.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ' DA' . . . . . 0.685 H5'' ' HB ' ' B' ' 65' ' ' VAL . . . . . . . . 0 C5'--C4' 1.54 3.603 3 C4'-C3'-C2' 97.166 -6.034 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.641 2.844 2 O4'-C1'-N19 112.418 5.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.632 1 P-O3'-C3' 125.298 4.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 1 P-O3'-C3' 124.938 4.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.914 1 O4'-C1'-N19 111.861 5.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.968 0 C4'-C3'-C2' 99.877 -3.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.692 1 O4'-C1'-N19 116.201 10.501 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.569 H5'' ' O ' ' B' ' 6' ' ' GLN . . . . . . . . 0 O4'--C4' 1.414 -2.948 1 O4'-C4'-C3' 109.745 4.145 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.678 ' H73' ' HA ' ' B' ' 47' ' ' MET . . . . . . . . 0 C5'--C4' 1.54 3.652 3 P-O3'-C3' 126.041 5.284 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.318 0 O4'-C1'-N19 110.767 3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . 1.116 ' C7 ' ' HA ' ' B' ' 43' ' ' THR . . . . . . . . 0 C5'--C4' 1.541 3.688 1 O4'-C1'-N19 112.292 5.615 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.209 1 O4'-C1'-N19 111.717 4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 2 O4'-C1'-N19 112.585 5.981 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.162 2 O4'-C1'-N19 113.693 7.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.955 1 O4'-C1'-N19 114.475 8.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 0 P-O3'-C3' 124.001 3.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.868 0 O4'-C1'-N19 110.645 3.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 2 O4'-C1'-N19 113.384 6.979 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.86 1 O4'-C1'-N19 112.877 6.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptp . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -80.95 72.22 7.95 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.042 0.937 . . . . 0.0 108.788 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -163.94 113.16 1.22 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.337 1.055 . . . . 0.0 108.712 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 8.5 tp -85.19 119.0 71.98 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 124.511 1.124 . . . . 0.0 108.17 178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -59.28 132.8 48.65 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 122.945 2.43 . . . . 0.0 112.154 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.569 ' O ' H5'' ' C' ' 13' ' ' ' DA' . 27.8 tp60 -78.43 81.43 4.77 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 59.0 mt -80.78 144.83 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 C-N-CA 124.538 1.135 . . . . 0.0 111.84 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 84.1 p -135.0 -169.28 2.33 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 127.866 2.466 . . . . 0.0 106.686 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -61.23 -47.95 83.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.93 94.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.169 0.987 . . . . 0.0 113.399 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' B' ' 15' ' ' MET . 13.6 tt0 -64.49 -52.39 58.14 Favored 'General case' 0 C--N 1.343 0.303 0 CA-C-N 118.567 0.622 . . . . 0.0 110.513 -178.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.9 -41.25 97.68 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.594 1.158 . . . . 0.0 111.829 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -52.7 -36.07 56.64 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-N 118.51 0.595 . . . . 0.0 111.831 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.93 -58.47 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.876 0.87 . . . . 0.0 109.015 177.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . 0.594 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 24.4 mtp -45.99 -44.9 15.41 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 125.548 1.539 . . . . 0.0 111.226 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -47.89 -49.98 28.05 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.885 1.674 . . . . 0.0 110.825 177.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 30.0 t -68.39 -48.17 74.15 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 CA-C-N 118.784 0.72 . . . . 0.0 110.481 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mt -57.0 -40.09 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 124.394 1.078 . . . . 0.0 112.017 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -65.78 -23.56 66.74 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.95 -46.94 64.19 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 176.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' HIS . . . . . 0.831 ' CD2' ' O ' ' B' ' 23' ' ' SER . 2.7 t60 -70.89 153.44 42.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.159 1.783 . . . . 0.0 109.363 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -59.68 -58.88 6.67 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.831 ' O ' ' CD2' ' B' ' 21' ' ' HIS . 33.9 m -128.8 -155.08 0.68 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 101.135 -3.654 . . . . 0.0 101.135 164.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . 0.321 13.2 tt -150.91 137.95 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 121.911 2.141 . . . . 0.0 112.221 172.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -96.25 134.45 39.35 Favored 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 100.738 -3.801 . . . . 0.0 100.738 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.02 -32.89 0.72 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.902 2.081 . . . . 0.0 113.458 -176.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -41.69 87.04 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-N 120.044 1.293 . . . . 0.0 110.933 177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -71.74 -36.5 70.46 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.414 0.685 . . . . 0.0 111.498 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -55.04 19.0 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.519 HD11 ' HG3' ' B' ' 45' ' ' GLN . 26.5 mt -59.61 -52.62 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 124.19 0.996 . . . . 0.0 109.178 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -46.52 -41.81 14.75 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 123.543 0.527 . . . . 0.0 112.233 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -82.87 -61.64 1.82 Allowed 'General case' 0 C--N 1.343 0.318 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.16 -38.22 85.68 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 -176.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' SER . . . . . . . . . . . . . 6.9 t -66.25 -27.74 68.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.362 0.983 . . . . 0.0 112.924 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -78.71 -46.84 18.11 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.077 0.551 . . . . 0.0 110.468 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.1 p -71.92 -56.62 5.36 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.223 1.009 . . . . 0.0 111.392 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 40.5 m -92.69 162.1 14.29 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.722 1.209 . . . . 0.0 110.18 179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -60.66 -58.22 9.38 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.096 0.958 . . . . 0.0 110.691 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -11.02 118.98 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 130.126 3.37 . . . . 0.0 115.973 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 40.2 t -67.63 158.47 82.67 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 125.412 1.485 . . . . 0.0 109.214 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -49.36 -42.15 41.52 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.833 2.356 . . . . 0.0 112.247 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -65.96 -40.29 91.16 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.741 0.816 . . . . 0.0 111.518 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 1.116 ' HA ' ' C7 ' ' C' ' 16' ' ' ' DT' . 39.2 m -59.71 -46.62 88.54 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.112 0.565 . . . . 0.0 109.778 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 83.6 mt -59.76 -63.19 0.78 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.511 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.519 ' HG3' HD11 ' B' ' 30' ' ' ILE . 87.2 mt-30 -42.42 -34.74 0.87 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 125.414 1.486 . . . . 0.0 114.729 -178.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 96.4 m -84.0 -27.49 28.38 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.809 0.843 . . . . 0.0 113.243 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.678 ' HA ' ' H73' ' C' ' 14' ' ' ' DT' . 94.0 mtp -53.01 -48.23 67.69 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 177.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.84 -44.79 86.71 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 126.347 1.859 . . . . 0.0 112.331 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 20.4 tp -43.47 -52.83 5.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.189 1.396 . . . . 0.0 114.41 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.405 ' HB2' ' H72' ' C' ' 14' ' ' ' DT' . 31.8 mmt180 -69.59 -40.16 76.86 Favored 'General case' 0 C--N 1.342 0.256 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.27 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' B' ' 56' ' ' ALA . 11.0 mp -54.82 -34.06 62.34 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 119.644 1.111 . . . . 0.0 109.932 173.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 70.7 mt -74.05 -29.32 25.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 123.54 0.736 . . . . 0.0 111.247 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -79.3 -46.5 17.6 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.242 1.017 . . . . 0.0 111.275 178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -86.33 -17.53 34.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.468 1.507 . . . . 0.0 112.726 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.17 11.29 30.01 Favored Glycine 0 CA--C 1.532 1.129 0 N-CA-C 120.233 2.853 . . . . 0.0 120.233 173.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . 0.401 ' HB3' ' HG ' ' B' ' 51' ' ' LEU . . . -68.5 -51.17 46.08 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 123.598 3.699 . . . . 0.0 109.907 176.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mp -116.54 166.29 12.27 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.116 1.766 . . . . 0.0 110.999 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -141.05 134.5 29.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.172 1.389 . . . . 0.0 109.531 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.4 149.39 21.28 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 119.578 1.081 . . . . 0.0 112.626 178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -146.2 121.34 10.14 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.04 0.936 . . . . 0.0 110.563 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 59.9 mtmt -82.92 94.97 7.83 Favored 'General case' 0 C--N 1.343 0.304 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -93.26 95.82 9.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.741 1.616 . . . . 0.0 112.494 -176.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 52.73 -84.18 0.01 OUTLIER Glycine 0 CA--C 1.528 0.887 0 C-N-CA 125.409 1.481 . . . . 0.0 114.105 177.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.57 -80.51 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.469 1.108 . . . . 0.0 109.486 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.685 ' HB ' H5'' ' A' ' 6' ' ' ' DA' . 27.3 m -135.05 173.46 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.017 0 N-CA-C 103.616 -2.735 . . . . 0.0 103.616 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . 0.64 ' CD1' " H3'" ' A' ' 6' ' ' ' DA' . 0.0 OUTLIER -81.3 153.89 26.83 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 -173.363 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 m -125.87 139.69 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.764 0 C-N-CA 126.607 1.963 . . . . 0.0 110.328 173.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' TYR . . . . . 0.485 ' CG ' ' HZ ' ' B' ' 66' ' ' PHE 0.27 8.5 m-85 -94.15 121.26 35.46 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 178.808 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 73.2 p -100.53 113.56 65.56 Favored Pre-proline 0 N--CA 1.452 -0.361 0 C-N-CA 126.614 1.966 . . . . 0.0 109.759 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -57.33 106.44 0.23 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 123.484 2.789 . . . . 0.0 110.748 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -71.87 -9.34 58.18 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.735 0.814 . . . . 0.0 112.213 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.37 138.92 39.62 Favored 'Isoleucine or valine' 0 C--N 1.344 0.345 0 C-N-CA 125.188 1.395 . . . . 0.0 110.061 178.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -143.4 -52.79 0.36 Allowed 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.467 1.507 . . . . 0.0 108.615 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.79 -38.42 78.52 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.023 1.329 . . . . 0.0 110.911 177.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 32.8 t -83.87 -71.64 0.5 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.611 1.164 . . . . 0.0 109.274 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 t70 48.55 51.66 15.07 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.285 1.434 . . . . 0.0 109.365 -178.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' TYR . . . . . . . . . . . . . 27.3 t80 68.49 119.88 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 127.717 2.407 . . . . 0.0 111.769 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 30.5 mm -122.55 105.0 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 106.781 -1.562 . . . . 0.0 106.781 178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -77.32 99.63 5.61 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -76.79 130.25 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 123.464 0.705 . . . . 0.0 109.218 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -168.57 165.43 12.32 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.558 1.143 . . . . 0.0 109.869 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.152 -1.404 . . . . 0.0 109.407 179.905 . . . . . . . . 0 0 . 1 stop_ save_