data_2mru_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 2mru _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 ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.81 0.338 . . . . 10.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.0 p -122.72 146.29 47.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.95 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.47 115.09 25.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.65 91.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.434 ' HZ3' ' CG ' ' B' ' 30' ' ' ASP . 72.2 mmtt -81.86 -179.44 7.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.852 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -101.11 108.04 19.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.114 0.483 . . . . 10.0 112.01 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -83.6 87.75 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.63 -92.76 1.22 Allowed Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 109.733 -1.347 . . . . 10.0 109.733 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -126.43 -11.6 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.603 0.24 . . . . 10.0 110.952 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 m -112.92 142.73 27.77 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.62 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -74.5 149.56 39.41 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.595 2.197 . . . . 10.0 111.267 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.02 133.21 23.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.01 0.433 . . . . 10.0 111.978 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.1 t -82.95 108.08 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -65.31 121.88 15.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.435 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -109.08 105.28 56.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.773 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -55.37 145.42 67.55 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 122.761 2.307 . . . . 10.0 112.397 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -26.92 63.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.649 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.1 m -60.86 -37.16 81.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.998 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.81 -31.2 56.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.3 mtm -60.89 -48.36 82.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.996 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -65.54 -32.44 74.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.176 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -56.56 20.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.088 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.0 mt -87.89 1.67 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.741 0.305 . . . . 10.0 111.633 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 62.45 44.07 7.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.69 0.757 . . . . 10.0 111.787 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.58 161.79 15.37 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -137.95 -172.25 3.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.837 0.351 . . . . 10.0 111.564 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.4 mm -75.58 154.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 67.44 29.14 7.47 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -100.59 172.71 6.93 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.874 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -113.54 126.45 55.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.319 0.58 . . . . 10.0 111.397 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.5 m -119.52 139.9 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.372 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -85.07 107.5 17.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.636 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.5 mt -83.64 96.41 4.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -101.21 159.05 15.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.936 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.78 93.72 4.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.1 t -125.9 133.66 68.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.304 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.25 23.56 13.13 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.771 -0.649 . . . . 10.0 111.728 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.21 17.97 76.28 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.836 -0.697 . . . . 10.0 111.686 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -123.53 168.24 12.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.764 0.316 . . . . 10.0 110.464 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.6 mt -90.88 114.26 26.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.145 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.5 mm -92.6 106.3 17.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mm -105.28 108.14 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.062 0.458 . . . . 10.0 111.009 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -125.62 128.5 24.62 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.848 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -72.1 116.18 4.61 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.018 2.479 . . . . 10.0 111.51 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.651 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.906 0.384 . . . . 10.0 111.607 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.8 t -90.14 114.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -100.75 174.37 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.66 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -87.98 133.78 33.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.207 0.527 . . . . 10.0 112.108 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -106.92 83.71 1.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.299 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.44 -71.26 2.52 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.827 -0.701 . . . . 10.0 111.367 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -132.85 -50.68 0.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.035 0.445 . . . . 10.0 110.531 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 1.3 m -95.0 148.79 35.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.151 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.38 159.57 46.41 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.538 2.158 . . . . 10.0 112.064 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -146.27 133.63 20.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.528 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.8 t -81.71 107.04 13.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.114 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -68.57 114.99 7.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.9 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 50.1 mm -104.61 122.14 44.64 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.061 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -51.22 127.06 20.79 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.549 2.166 . . . . 10.0 111.527 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.45 -29.66 61.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -33.24 75.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.953 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.12 -30.12 34.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.779 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 64.3 mmm -60.63 -35.92 77.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.415 0.626 . . . . 10.0 110.44 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.65 -27.97 64.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.657 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.87 -37.27 70.23 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.88 0.371 . . . . 10.0 111.03 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -83.32 -7.78 59.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.693 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 t30 63.72 56.52 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.338 -0.846 . . . . 10.0 112.721 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -138.93 170.5 15.88 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -139.94 -164.14 1.64 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.779 0.323 . . . . 10.0 111.762 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -74.53 146.4 9.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.434 ' CG ' ' HZ3' ' A' ' 7' ' ' LYS . 0.3 OUTLIER 78.29 9.93 2.04 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.929 0.768 . . . . 10.0 111.719 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -71.15 143.47 50.54 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -98.32 99.12 10.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.289 0.566 . . . . 10.0 111.412 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -89.32 134.09 29.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.354 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -89.87 109.77 20.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.684 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.85 106.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -117.43 140.49 49.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.454 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.44 106.48 15.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.176 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.3 t -133.64 130.68 56.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 59.09 24.22 12.51 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.02 18.89 79.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.63 -0.795 . . . . 10.0 112.811 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -130.92 166.89 19.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.31 108.04 19.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.028 0.442 . . . . 10.0 111.629 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 44.7 mm -89.59 105.52 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 24.9 mm -97.05 100.21 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.317 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -112.99 119.96 41.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.163 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -66.3 121.24 8.49 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.885 2.39 . . . . 10.0 111.318 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 67.0 t . . . . . 0 C--N 1.322 -0.615 0 CA-C-O 121.016 0.436 . . . . 10.0 110.993 -179.371 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.838 0.351 . . . . 10.0 110.966 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 m -99.02 143.42 29.32 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.269 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.13 123.79 29.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.83 96.7 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.001 0.429 . . . . 10.0 109.99 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -85.37 -178.86 6.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.572 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -105.66 119.07 38.2 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 10.0 111.288 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -84.6 90.03 7.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.645 -1.243 . . . . 10.0 107.645 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.42 -90.33 0.83 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.555 -0.831 . . . . 10.0 111.298 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -128.34 -0.68 5.68 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 p -126.21 149.38 66.72 Favored Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 110.482 -0.192 . . . . 10.0 110.482 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.56 143.18 67.73 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.924 2.416 . . . . 10.0 112.697 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.55 129.2 21.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.906 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.89 123.91 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.066 -0.516 . . . . 10.0 109.936 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -71.39 109.59 5.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.68 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.5 mt -119.88 103.56 45.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.11 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -53.92 147.42 42.42 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 123.263 2.642 . . . . 10.0 112.512 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.66 -22.95 66.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.442 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.5 -39.24 76.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.646 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.03 -34.85 59.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.671 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.8 mmm -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.433 -0.803 . . . . 10.0 110.643 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -68.75 -34.74 76.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.935 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.6 -35.49 75.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.243 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -92.14 -4.37 54.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.14 0.495 . . . . 10.0 111.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 66.0 61.76 0.62 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -142.64 141.79 31.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.934 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -113.49 -168.7 1.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.294 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.5 mm -68.49 146.23 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.249 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t0 72.3 18.07 4.73 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.652 0.595 . . . . 10.0 111.678 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -81.03 145.85 30.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.215 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -90.21 124.96 35.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.423 0.63 . . . . 10.0 111.165 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.6 m -118.37 136.44 55.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.326 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -89.13 105.6 17.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.67 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.4 mt -83.91 97.41 4.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.46 157.23 16.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.293 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.2 tp -116.99 105.08 11.93 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -126.31 125.51 67.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.971 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t0 58.28 33.71 23.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.131 0.491 . . . . 10.0 111.946 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.24 21.29 73.88 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.373 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.9 147.32 44.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.656 0.265 . . . . 10.0 110.528 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.9 mt -80.97 110.55 16.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.178 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.7 mm -102.04 97.45 5.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.192 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -90.3 99.4 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -107.74 109.14 62.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.205 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.61 145.14 41.24 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.197 1.931 . . . . 10.0 111.651 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.503 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.062 0.458 . . . . 10.0 112.114 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 t -81.77 107.35 13.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -95.72 170.95 8.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.07 0.462 . . . . 10.0 111.307 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -90.17 112.67 24.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.729 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -92.64 82.6 4.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.941 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.12 -80.26 1.4 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.311 -0.716 . . . . 10.0 111.311 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -111.05 -71.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.135 0.493 . . . . 10.0 110.031 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -88.62 156.93 50.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.469 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.54 173.04 12.26 Favored 'Trans proline' 0 C--O 1.238 0.497 0 C-N-CA 122.714 2.276 . . . . 10.0 113.331 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.34 152.36 10.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.2 -0.909 . . . . 10.0 109.601 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 91.2 t -106.9 120.2 57.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.751 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 -83.91 133.27 34.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.205 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 89.7 mt -126.74 124.14 24.02 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.662 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -42.1 134.42 4.25 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.797 2.998 . . . . 10.0 113.236 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.75 -27.38 59.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.419 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.2 p -59.71 -37.76 79.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.208 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.3 -34.53 70.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.533 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 35.9 mmm -63.88 -39.85 95.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.091 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -67.91 -33.13 74.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.668 -0.697 . . . . 10.0 110.626 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.7 -34.41 60.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 mt -86.29 -10.88 53.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.779 0.659 . . . . 10.0 112.779 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 61.9 t30 73.39 63.93 0.09 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.383 0.611 . . . . 10.0 112.536 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -152.81 160.08 43.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.55 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -134.65 -166.76 1.86 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.799 -0.361 . . . . 10.0 111.509 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.8 mm -69.29 140.29 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.691 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 75.77 19.24 2.01 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.843 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.26 131.79 35.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.149 178.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.4 119.04 24.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.109 0.48 . . . . 10.0 110.488 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 m -106.66 143.94 16.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.7 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -89.21 101.23 13.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.543 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -77.76 101.12 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.51 136.34 47.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.573 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 tp -101.31 91.04 4.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.043 0.449 . . . . 10.0 109.946 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.9 t -100.95 122.78 53.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.527 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 60.55 26.36 16.03 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.842 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.34 17.5 77.8 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.461 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.05 148.99 41.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.735 0.303 . . . . 10.0 110.87 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -81.08 100.4 9.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.738 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 20.6 mm -99.74 102.56 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.844 -0.617 . . . . 10.0 109.374 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -88.9 107.99 18.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.263 0.554 . . . . 10.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -110.46 105.08 56.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.121 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.4 142.69 41.42 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.252 1.968 . . . . 10.0 111.445 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--N 1.325 -0.5 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.251 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.3 m -138.54 143.15 39.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.723 0.297 . . . . 10.0 111.521 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.83 125.6 39.6 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.883 0.373 . . . . 10.0 111.263 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -77.46 112.41 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.44 . . . . 10.0 109.876 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -91.05 177.22 6.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.83 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -100.28 116.74 32.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.836 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -90.9 84.93 5.85 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.34 -65.88 3.56 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -144.47 -41.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.2 0.524 . . . . 10.0 109.926 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -91.36 136.57 26.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.224 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.99 152.2 83.21 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.651 2.234 . . . . 10.0 112.063 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.95 139.55 30.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.126 0.489 . . . . 10.0 111.881 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.9 t -94.56 111.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.011 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -66.3 127.29 31.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.426 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.0 mm -105.96 121.9 44.2 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.074 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.58 124.88 17.36 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.57 2.18 . . . . 10.0 112.075 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.79 -30.32 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.329 0.585 . . . . 10.0 110.531 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -40.8 89.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.414 -0.812 . . . . 10.0 109.801 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.2 -32.21 66.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.417 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.0 mmm -59.24 -44.39 92.35 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.557 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -69.51 -32.56 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.452 -0.795 . . . . 10.0 110.717 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.94 45.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.12 -16.99 63.19 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.4 t30 74.19 60.42 0.08 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.53 162.1 36.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.933 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -126.02 176.08 7.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.565 0.221 . . . . 10.0 110.806 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.7 146.33 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.265 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.53 20.53 3.1 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.023 0.529 . . . . 10.0 112.185 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -76.93 139.14 40.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.72 100.9 12.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.006 0.432 . . . . 10.0 111.493 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.4 m -94.64 138.05 21.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.101 0.477 . . . . 10.0 110.435 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -91.45 95.17 9.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.41 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mt -70.99 109.27 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.97 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.85 147.97 33.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.541 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.29 100.19 9.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.511 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.7 t -122.8 120.82 61.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.565 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.38 23.37 13.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.92 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.29 18.04 78.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.803 -0.713 . . . . 10.0 111.603 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -117.32 150.4 38.88 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.7 mt -87.28 107.95 18.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.526 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.4 mm -93.46 107.32 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.64 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mm -93.73 102.41 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.358 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -117.45 111.61 39.81 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.386 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.3 128.42 19.36 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.821 2.347 . . . . 10.0 112.28 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 t . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.297 0.57 . . . . 10.0 109.741 179.644 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.236 0.347 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 44.4 t -77.31 102.16 3.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -84.51 172.82 11.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.407 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -98.44 117.75 33.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.176 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -90.3 81.24 6.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.154 0.502 . . . . 10.0 110.931 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 -65.95 2.98 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.244 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -126.86 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.645 0.259 . . . . 10.0 110.472 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 42.0 m -87.66 149.27 45.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.423 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.95 155.86 64.28 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.624 2.216 . . . . 10.0 111.756 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.14 136.13 17.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.872 0.368 . . . . 10.0 111.046 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 56.9 t -86.14 113.77 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -72.99 120.0 18.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.638 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 47.2 mm -107.24 112.31 62.91 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -53.44 140.96 63.1 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.678 2.252 . . . . 10.0 111.784 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.64 -23.0 64.43 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.972 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -43.26 99.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.309 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.35 -32.4 60.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.915 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 74.8 mmm -59.53 -35.92 75.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.78 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -82.75 -6.71 59.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.778 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.3 -34.68 16.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.11 0.481 . . . . 10.0 110.361 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 80.8 mt -94.21 -14.71 25.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.244 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 62.5 t30 70.16 59.88 0.25 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.364 -0.835 . . . . 10.0 112.798 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -129.28 150.83 50.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.284 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -113.5 -172.05 2.0 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -76.61 140.82 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.198 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 75.37 9.89 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.775 0.672 . . . . 10.0 111.737 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.61 124.9 24.54 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -82.04 98.0 8.41 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.319 0.581 . . . . 10.0 111.991 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 22.7 m -90.48 164.15 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -105.26 120.55 41.82 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.441 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.3 mt -104.49 108.74 25.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -119.82 153.76 35.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.829 0.347 . . . . 10.0 110.761 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.56 97.15 8.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.489 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 41.8 t -123.56 135.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.04 -0.527 . . . . 10.0 109.932 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t70 64.89 13.35 8.49 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.647 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.75 25.49 56.1 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.584 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -143.45 169.36 17.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.685 -0.303 . . . . 10.0 110.854 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.76 111.42 18.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.409 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 32.8 mm -101.41 105.34 17.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 mm -89.79 100.42 10.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.925 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -103.32 114.5 64.94 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.613 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.96 131.83 26.55 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.738 2.292 . . . . 10.0 112.043 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 120.919 0.39 . . . . 10.0 110.11 179.844 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 121.155 0.503 . . . . 10.0 111.541 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.0 m -149.27 163.98 36.14 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.55 136.47 54.89 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.731 0.3 . . . . 10.0 111.295 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.9 t -78.74 101.57 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -91.59 162.78 14.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.109 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -83.3 125.45 31.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.269 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -104.32 84.21 2.18 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.54 -62.34 4.35 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -138.98 -65.09 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.393 . . . . 10.0 110.06 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -80.46 143.85 56.22 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.396 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.38 153.73 61.12 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.496 2.13 . . . . 10.0 111.376 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.43 145.68 31.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.211 0.529 . . . . 10.0 112.094 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.0 t -98.5 123.07 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.357 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -82.34 128.06 33.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.952 0.406 . . . . 10.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.7 mm -120.79 100.58 46.31 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.411 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.18 159.48 9.93 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.791 2.327 . . . . 10.0 111.985 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.73 -28.76 16.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.584 0.957 . . . . 10.0 113.584 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -49.52 75.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.66 -32.29 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.27 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 92.9 mmm -61.92 -43.65 98.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.468 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -74.64 -24.86 58.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.796 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.54 -41.53 96.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.0 -12.3 28.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.914 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 69.74 51.52 0.45 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.037 0.836 . . . . 10.0 111.752 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -121.11 159.52 25.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.07 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -120.38 -166.68 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.083 0.468 . . . . 10.0 111.662 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 mm -78.03 149.7 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.45 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 69.19 18.89 8.08 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.241 0.616 . . . . 10.0 111.788 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -73.93 145.47 44.69 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.8 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -93.02 98.03 11.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.288 0.566 . . . . 10.0 111.895 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.8 m -94.37 141.74 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.092 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -97.51 121.43 39.4 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.6 mt -100.17 110.7 27.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.352 -0.385 . . . . 10.0 109.999 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -120.41 168.16 11.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.388 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -112.02 40.82 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.919 0.39 . . . . 10.0 111.768 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.1 t -69.01 131.31 33.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.384 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 69.69 8.81 6.92 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.31 0.644 . . . . 10.0 112.204 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.87 24.69 54.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.862 -0.685 . . . . 10.0 113.299 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.43 170.86 15.36 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.665 -0.315 . . . . 10.0 110.307 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -81.6 101.44 10.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.849 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.8 mm -87.6 107.56 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.5 mm -106.77 99.24 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.903 0.382 . . . . 10.0 111.015 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -121.63 121.4 28.32 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.145 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.36 156.12 22.16 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.785 2.323 . . . . 10.0 111.833 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.0 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.971 0.415 . . . . 10.0 111.841 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 32.4 t -67.84 111.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -98.46 -179.08 4.22 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.23 0.455 . . . . 10.0 112.23 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -105.51 114.1 28.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 10.0 112.207 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -89.96 79.01 6.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.697 -1.223 . . . . 10.0 107.697 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.0 -55.58 4.8 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.52 -1.032 . . . . 10.0 110.52 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -152.13 -52.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.93 139.77 88.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.252 -0.886 . . . . 10.0 112.037 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -66.07 133.28 32.7 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 123.052 2.502 . . . . 10.0 110.366 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.37 132.6 47.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.011 0.434 . . . . 10.0 111.895 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 38.9 t -93.68 113.06 27.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.522 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -69.89 122.68 19.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.538 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 42.4 mm -106.83 118.55 53.93 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -50.52 124.27 12.96 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.907 2.405 . . . . 10.0 112.01 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.95 -30.48 66.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.966 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -40.33 86.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.761 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.84 -27.9 63.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.175 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.6 mmm -62.59 -27.87 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.502 0.668 . . . . 10.0 109.733 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -82.4 -10.93 58.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.442 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.45 -38.33 26.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 10.0 110.437 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 74.3 mt -90.89 -8.03 50.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.22 0.533 . . . . 10.0 109.698 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 52.4 t30 64.27 60.45 0.96 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.713 -1.131 . . . . 10.0 113.165 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -131.55 148.93 52.66 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -108.5 -173.32 2.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.811 0.339 . . . . 10.0 110.598 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mm -75.39 149.68 6.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 76.23 4.83 3.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.933 0.493 . . . . 10.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.99 133.4 45.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.54 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -74.03 129.81 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.987 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 m -123.26 144.03 34.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.268 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.1 113.07 25.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.341 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 54.7 mt -93.43 102.29 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.6 130.68 56.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.313 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.33 75.6 6.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.157 -0.474 . . . . 10.0 109.829 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.2 134.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.08 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 66.92 24.77 9.58 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.943 0.72 . . . . 10.0 112.943 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.57 18.1 79.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.839 -0.696 . . . . 10.0 113.243 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -137.68 165.14 27.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.757 0.279 . . . . 10.0 110.539 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -85.45 108.5 17.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.162 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 36.0 mm -95.93 102.17 13.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.9 mm -96.58 110.64 25.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.2 0.524 . . . . 10.0 110.79 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -111.11 127.58 26.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.331 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.95 127.89 16.83 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.765 2.31 . . . . 10.0 111.35 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.324 -0.541 0 CA-C-O 120.909 0.385 . . . . 10.0 111.087 -179.448 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 120.949 0.404 . . . . 10.0 110.786 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -121.9 142.93 49.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.503 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.12 138.65 31.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.504 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.5 t -94.29 131.24 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.884 0.373 . . . . 10.0 110.7 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -119.65 174.21 6.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -95.62 131.71 41.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.29 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -102.95 83.47 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.28 -83.33 1.61 Allowed Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.948 -0.861 . . . . 10.0 110.948 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -119.45 -52.55 2.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.425 . . . . 10.0 110.011 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -91.06 147.28 35.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.122 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -68.45 167.89 21.19 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.703 2.269 . . . . 10.0 112.641 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.09 131.6 5.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.357 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.7 t -85.09 115.75 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.877 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -77.96 125.74 29.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.378 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.8 mt -119.73 125.33 27.48 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.149 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -46.59 132.3 16.23 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.668 2.912 . . . . 10.0 112.45 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.9 -30.89 66.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.661 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -33.66 76.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.691 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.29 -30.27 60.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.7 mmm -63.28 -36.96 85.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.425 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.58 -29.37 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -16.94 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.771 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.7 mt -103.92 -3.49 24.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.557 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.9 t30 65.79 9.95 6.43 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.536 0.939 . . . . 10.0 113.536 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.72 165.63 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.666 -0.414 . . . . 10.0 110.655 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -128.47 -172.47 2.71 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.692 0.282 . . . . 10.0 111.118 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.3 mm -75.79 147.27 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t70 76.83 3.28 3.39 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.626 0.579 . . . . 10.0 111.423 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.96 165.86 24.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.308 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -107.84 139.6 42.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.286 0.565 . . . . 10.0 111.139 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.9 m -123.27 136.02 61.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.811 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -89.59 98.58 11.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.806 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.3 mt -77.94 111.73 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.127 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.23 126.57 52.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.292 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 tp -90.02 85.21 6.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.495 -0.558 . . . . 10.0 109.495 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t -109.62 128.49 65.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.142 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t0 61.94 20.47 11.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.811 -0.631 . . . . 10.0 112.543 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.95 12.48 82.59 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.818 -0.706 . . . . 10.0 112.534 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.36 150.58 37.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.984 0.421 . . . . 10.0 110.375 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.3 mt -82.17 97.79 8.39 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.307 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.9 mm -93.06 95.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -86.21 108.72 17.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.522 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -112.58 105.73 55.89 Favored Pre-proline 0 N--CA 1.451 -0.424 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.761 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.03 145.08 84.4 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.648 2.232 . . . . 10.0 111.665 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 121.124 0.488 . . . . 10.0 109.844 179.781 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.839 0.352 . . . . 10.0 111.049 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 t -83.82 93.0 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -82.84 164.14 20.74 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.94 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -90.52 106.88 18.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.834 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -84.51 80.63 9.17 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.777 -1.194 . . . . 10.0 107.777 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.55 -58.61 4.87 Favored Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -159.18 -47.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 11.7 m -75.71 128.76 83.04 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.334 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.2 150.12 58.94 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.772 2.314 . . . . 10.0 112.173 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.73 137.66 38.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.623 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.0 125.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.406 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -73.59 93.22 2.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.951 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 78.0 mt -107.21 111.97 63.11 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.944 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.67 146.13 96.22 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.911 2.407 . . . . 10.0 111.968 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.88 -26.24 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.053 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -39.0 81.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.009 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.07 -35.11 66.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.468 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.8 mmm -62.11 -40.56 96.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.106 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -65.84 -33.29 75.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.704 . . . . 10.0 111.382 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.88 64.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.3 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 68.4 mt -93.7 -10.06 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.25 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 70.31 36.2 1.86 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.41 161.74 21.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -139.65 -165.14 1.82 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 mm -70.61 148.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.111 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 75.14 5.59 4.24 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -82.0 169.12 17.12 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -114.88 143.85 44.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.067 0.46 . . . . 10.0 110.455 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 16.4 m -124.37 139.38 50.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.826 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -92.63 92.15 7.87 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 50.3 mt -75.76 109.38 9.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.023 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -104.94 139.87 39.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.13 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 tp -101.67 85.82 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.272 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.5 t -91.57 111.24 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.817 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 63.03 12.16 5.71 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.847 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.02 5.92 54.41 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.728 -0.748 . . . . 10.0 112.208 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.39 147.43 23.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.648 0.261 . . . . 10.0 110.305 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 95.1 mt -83.2 93.18 7.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.419 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 18.4 mm -92.42 91.19 3.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 55.2 mt -84.37 95.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.107 0.479 . . . . 10.0 110.394 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -104.95 107.54 58.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.787 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -67.73 157.27 62.53 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.75 2.3 . . . . 10.0 112.371 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 77.9 t . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.251 179.283 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 m170 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.181 0.515 . . . . 10.0 111.202 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.8 m -88.43 144.92 26.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.796 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -87.77 132.31 34.2 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 t -90.45 102.07 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -104.03 173.79 6.15 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.441 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -102.32 119.27 38.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.949 0.404 . . . . 10.0 111.662 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -115.65 104.82 12.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.3 -73.9 2.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.745 -0.741 . . . . 10.0 111.701 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -147.72 -54.87 0.22 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.78 149.39 63.68 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.278 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.53 150.43 75.17 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.631 2.221 . . . . 10.0 111.275 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.86 130.1 35.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.959 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.2 t -95.81 125.07 48.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.788 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -81.14 126.4 31.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.115 0.483 . . . . 10.0 111.378 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.3 mt -113.94 124.49 30.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.885 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.45 140.4 82.73 Favored 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.784 2.323 . . . . 10.0 112.011 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.71 54.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.938 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -34.7 74.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.241 -0.436 . . . . 10.0 112.118 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.25 -31.61 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 10.0 110.806 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.0 mtm -65.53 -37.71 87.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.39 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -74.77 -15.93 60.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.31 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.72 -46.19 10.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.804 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.6 mt -88.84 -12.66 41.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.513 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.24 68.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.428 0.633 . . . . 10.0 111.727 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.83 148.25 50.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.056 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -111.59 177.28 4.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.951 0.405 . . . . 10.0 111.944 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mm -77.35 143.32 13.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.45 12.55 5.59 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.689 0.618 . . . . 10.0 111.62 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -79.29 164.56 24.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.25 128.39 53.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.312 0.577 . . . . 10.0 111.944 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 m -113.31 140.04 35.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -91.34 100.82 13.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.412 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.2 mt -82.7 113.53 22.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.681 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -112.38 163.22 14.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.061 -0.518 . . . . 10.0 109.703 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.5 tp -123.98 107.29 11.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.144 0.497 . . . . 10.0 110.554 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -127.93 125.45 64.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.313 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 62.97 21.23 12.77 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.614 0.721 . . . . 10.0 111.505 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.41 12.56 84.16 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.773 -0.727 . . . . 10.0 111.777 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.92 145.37 31.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 110.418 -0.215 . . . . 10.0 110.418 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.1 mt -80.01 103.37 9.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.229 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.8 mm -96.06 92.93 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.087 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -88.47 100.72 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.298 0.57 . . . . 10.0 109.783 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -105.85 111.6 64.54 Favored Pre-proline 0 N--CA 1.448 -0.554 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.359 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.54 129.67 18.25 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.599 2.199 . . . . 10.0 111.173 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 t . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 179.388 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.425 0 CA-C-O 120.867 0.365 . . . . 10.0 111.145 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 11.3 t -78.96 78.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -69.78 155.72 40.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.837 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -93.63 111.24 22.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.521 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -83.82 74.74 10.16 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.73 -57.4 4.93 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.64 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -146.55 -49.28 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.872 0.367 . . . . 10.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.58 149.67 65.02 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.277 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -80.12 146.88 18.26 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.627 2.218 . . . . 10.0 112.412 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.8 134.42 28.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.778 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -95.39 132.17 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.02 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -82.16 127.09 32.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.47 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 77.2 mt -122.39 119.04 28.57 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.528 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.23 137.2 70.46 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.951 2.434 . . . . 10.0 112.421 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.27 -31.7 70.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.473 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -28.18 68.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.887 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.91 -35.64 23.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.138 0.494 . . . . 10.0 110.114 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 36.1 mmm -61.27 -48.13 82.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.891 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -68.27 -21.02 64.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.498 -0.774 . . . . 10.0 111.069 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.71 -35.94 67.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 48.1 mt -90.48 -7.16 53.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.654 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 t30 74.62 16.7 3.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.218 1.192 . . . . 10.0 114.218 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.39 153.39 17.99 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.687 -0.405 . . . . 10.0 109.932 178.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.74 -174.54 2.95 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 27.2 mm -72.63 150.18 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.6 t70 77.85 0.17 2.76 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.599 0.714 . . . . 10.0 111.445 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.76 165.25 25.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.906 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -110.43 131.39 55.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.802 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 8.0 m -111.51 131.54 62.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 10.0 111.266 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -85.36 92.88 8.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.376 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 60.2 mt -78.84 118.21 25.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.03 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -122.82 144.65 49.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.344 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 25.6 tp -95.19 86.88 4.69 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 93.2 t -105.29 126.19 60.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.262 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 63.66 19.17 11.58 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.653 0.596 . . . . 10.0 111.307 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.17 15.66 79.93 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.164 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.36 157.08 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.784 0.326 . . . . 10.0 110.319 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 88.4 mt -81.31 98.33 8.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.681 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.28 106.27 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.956 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -93.36 110.56 23.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.918 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -114.32 101.48 54.17 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.179 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.22 151.29 76.88 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.368 2.045 . . . . 10.0 111.959 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 121.038 0.447 . . . . 10.0 110.314 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.4 m170 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 121.102 0.477 . . . . 10.0 110.357 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 m -102.83 143.01 32.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.99 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.87 132.84 34.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.288 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.43 97.75 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.617 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -87.28 163.64 16.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.438 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -102.48 108.97 20.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.638 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -93.88 107.22 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.02 -68.77 3.03 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.564 -0.827 . . . . 10.0 111.18 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -153.8 -45.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.907 0.384 . . . . 10.0 110.25 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.02 134.17 41.7 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.422 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.37 147.8 94.33 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.39 2.06 . . . . 10.0 110.748 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.34 122.43 21.44 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.036 0.446 . . . . 10.0 111.836 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.9 t -87.85 116.99 30.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -77.64 139.97 39.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.009 0.433 . . . . 10.0 111.777 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.5 mt -118.19 124.73 28.41 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.73 147.23 95.77 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.451 2.101 . . . . 10.0 111.401 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.8 -30.05 56.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.538 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -40.14 84.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.635 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.85 -31.1 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 10.0 110.544 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -65.65 -39.72 91.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.111 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -75.69 -24.82 56.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.89 -46.61 23.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.589 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.9 mt -86.71 -5.1 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.848 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 t30 58.02 56.7 4.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.234 0.54 . . . . 10.0 111.3 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 pp -110.27 165.54 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.793 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -121.81 176.36 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.923 0.392 . . . . 10.0 111.492 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mm -82.03 137.24 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.095 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.91 18.4 10.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.685 -0.689 . . . . 10.0 112.151 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -87.17 153.24 21.66 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.65 125.61 32.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.578 0.704 . . . . 10.0 112.802 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 m -110.69 145.27 17.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.422 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -92.44 96.27 10.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.911 0.386 . . . . 10.0 110.693 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.6 mt -85.61 126.17 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.143 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -130.09 148.53 51.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -104.64 94.3 5.23 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.2 t -104.54 109.71 28.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.28 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.24 44.09 19.33 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.121 0.785 . . . . 10.0 113.121 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.33 15.68 77.1 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.213 -0.518 . . . . 10.0 113.211 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -116.68 138.89 51.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.572 0.225 . . . . 10.0 110.584 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -79.51 103.0 9.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.097 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.6 mm -98.35 92.14 2.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.996 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -92.35 106.35 17.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.655 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -118.63 111.39 37.85 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.505 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -63.13 136.84 58.3 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.498 2.132 . . . . 10.0 111.222 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 t . . . . . 0 C--N 1.323 -0.566 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 179.622 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.665 0.269 . . . . 10.0 111.157 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 t -75.93 98.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 10.0 109.938 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -74.61 170.9 14.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.783 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -120.93 110.24 16.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.923 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -105.78 109.18 21.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.401 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.57 -60.45 4.74 Favored Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.587 -1.005 . . . . 10.0 110.587 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -168.9 -43.59 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.97 135.87 70.23 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.293 -0.867 . . . . 10.0 110.6 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -64.95 144.82 84.04 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.45 2.1 . . . . 10.0 111.167 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.68 140.8 33.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.882 0.373 . . . . 10.0 111.345 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 88.3 t -94.86 127.66 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -78.55 126.57 30.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.722 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 72.5 mt -122.46 130.73 24.55 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.899 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.43 137.27 68.85 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.514 2.143 . . . . 10.0 111.511 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.86 -29.88 70.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.084 0.469 . . . . 10.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -34.1 77.34 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.423 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -32.85 67.03 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.021 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 68.3 mmm -62.06 -42.15 98.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.95 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -69.05 -27.48 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.612 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.39 -31.98 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.04 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.4 mt -92.8 -6.3 49.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.034 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 57.8 t30 71.27 63.01 0.16 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.357 -0.838 . . . . 10.0 113.255 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.91 157.34 31.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.29 -166.78 1.67 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.882 0.372 . . . . 10.0 111.703 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -71.9 150.81 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.858 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.6 t70 74.62 6.22 4.49 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.267 0.627 . . . . 10.0 112.551 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -81.84 159.17 23.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -102.49 131.15 49.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.34 0.59 . . . . 10.0 111.516 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.9 m -113.82 138.71 42.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -88.09 98.47 11.56 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 mt -77.9 98.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.76 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -96.68 165.46 12.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.447 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 tp -133.5 99.11 4.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.32 100.89 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.205 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 56.59 61.78 2.54 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.819 0.699 . . . . 10.0 111.579 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.62 45.63 93.03 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.965 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -143.72 129.66 19.5 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.3 mt -76.93 105.72 8.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.37 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 25.2 mm -102.57 94.08 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.015 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -87.19 110.63 20.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.025 0.44 . . . . 10.0 110.599 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.81 106.21 44.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.619 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.7 144.68 72.84 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.58 2.187 . . . . 10.0 111.51 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 C--N 1.323 -0.547 0 CA-C-O 120.922 0.392 . . . . 10.0 110.563 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 CA-C-O 120.966 0.203 . . . . 10.0 112.677 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mp -120.3 123.64 70.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -87.0 130.74 34.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.81 0.338 . . . . 10.0 110.339 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.0 p -122.72 146.29 47.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.95 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.47 115.09 25.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.65 91.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.434 ' HZ3' ' CG ' ' B' ' 30' ' ' ASP . 72.2 mmtt -81.86 -179.44 7.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.852 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -101.11 108.04 19.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.114 0.483 . . . . 10.0 112.01 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.597 ' O ' ' H71' ' X' ' 6' ' ' ' DT' . 4.3 t90 -83.6 87.75 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 178.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.63 -92.76 1.22 Allowed Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 109.733 -1.347 . . . . 10.0 109.733 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -126.43 -11.6 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.603 0.24 . . . . 10.0 110.952 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.622 ' OG ' ' H8 ' ' X' ' 5' ' ' ' DA' . 27.2 m -112.92 142.73 27.77 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.62 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -74.5 149.56 39.41 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.595 2.197 . . . . 10.0 111.267 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.02 133.21 23.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.01 0.433 . . . . 10.0 111.978 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.1 t -82.95 108.08 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -65.31 121.88 15.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.435 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -109.08 105.28 56.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.773 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -55.37 145.42 67.55 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 122.761 2.307 . . . . 10.0 112.397 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -26.92 63.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.649 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.1 m -60.86 -37.16 81.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.998 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.81 -31.2 56.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.3 mtm -60.89 -48.36 82.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.996 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -65.54 -32.44 74.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.176 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -56.56 20.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.088 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 94.0 mt -87.89 1.67 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.741 0.305 . . . . 10.0 111.633 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 62.45 44.07 7.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.69 0.757 . . . . 10.0 111.787 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.58 161.79 15.37 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -137.95 -172.25 3.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.837 0.351 . . . . 10.0 111.564 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.4 mm -75.58 154.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.266 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 67.44 29.14 7.47 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -100.59 172.71 6.93 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.874 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -113.54 126.45 55.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.319 0.58 . . . . 10.0 111.397 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.5 m -119.52 139.9 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.372 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -85.07 107.5 17.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.636 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.5 mt -83.64 96.41 4.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -101.21 159.05 15.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.936 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.78 93.72 4.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.1 t -125.9 133.66 68.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.304 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.25 23.56 13.13 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.771 -0.649 . . . . 10.0 111.728 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.21 17.97 76.28 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.836 -0.697 . . . . 10.0 111.686 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -123.53 168.24 12.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.764 0.316 . . . . 10.0 110.464 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.6 mt -90.88 114.26 26.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.145 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.5 mm -92.6 106.3 17.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mm -105.28 108.14 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.062 0.458 . . . . 10.0 111.009 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -125.62 128.5 24.62 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.848 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -72.1 116.18 4.61 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.018 2.479 . . . . 10.0 111.51 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.4 t -112.9 86.9 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -59.17 142.47 51.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.488 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -100.74 68.54 1.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.548 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.257 -0.878 . . . . 10.0 110.069 -179.79 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 112.188 -0.365 . . . . 10.0 112.188 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 19.3 mt -72.07 134.57 29.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.853 0.359 . . . . 10.0 110.318 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -81.95 57.7 3.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.06 -0.518 . . . . 10.0 112.204 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 4.4 m -74.26 151.17 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.832 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -120.12 150.29 40.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.906 0.384 . . . . 10.0 111.607 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.8 t -90.14 114.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -100.75 174.37 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.66 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -87.98 133.78 33.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.207 0.527 . . . . 10.0 112.108 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.631 ' CZ2' ' H72' ' Y' ' 7' ' ' ' DT' . 6.9 t90 -106.92 83.71 1.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.299 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.44 -71.26 2.52 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.827 -0.701 . . . . 10.0 111.367 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -132.85 -50.68 0.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.035 0.445 . . . . 10.0 110.531 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 1.3 m -95.0 148.79 35.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.151 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.38 159.57 46.41 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.538 2.158 . . . . 10.0 112.064 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -146.27 133.63 20.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.528 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.8 t -81.71 107.04 13.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.114 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -68.57 114.99 7.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.9 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 50.1 mm -104.61 122.14 44.64 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.061 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -51.22 127.06 20.79 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.549 2.166 . . . . 10.0 111.527 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.45 -29.66 61.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -33.24 75.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.953 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.12 -30.12 34.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.779 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 64.3 mmm -60.63 -35.92 77.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.415 0.626 . . . . 10.0 110.44 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.65 -27.97 64.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.657 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.87 -37.27 70.23 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.88 0.371 . . . . 10.0 111.03 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.7 mt -83.32 -7.78 59.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.693 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 t30 63.72 56.52 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.338 -0.846 . . . . 10.0 112.721 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -138.93 170.5 15.88 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -139.94 -164.14 1.64 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.779 0.323 . . . . 10.0 111.762 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -74.53 146.4 9.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.434 ' CG ' ' HZ3' ' A' ' 7' ' ' LYS . 0.3 OUTLIER 78.29 9.93 2.04 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.929 0.768 . . . . 10.0 111.719 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -71.15 143.47 50.54 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -98.32 99.12 10.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.289 0.566 . . . . 10.0 111.412 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -89.32 134.09 29.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.354 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -89.87 109.77 20.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.684 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.85 106.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -117.43 140.49 49.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.454 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.44 106.48 15.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.176 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.3 t -133.64 130.68 56.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 59.09 24.22 12.51 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.02 18.89 79.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.63 -0.795 . . . . 10.0 112.811 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -130.92 166.89 19.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.31 108.04 19.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.028 0.442 . . . . 10.0 111.629 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 44.7 mm -89.59 105.52 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 24.9 mm -97.05 100.21 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.317 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -112.99 119.96 41.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.163 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -66.3 121.24 8.49 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.885 2.39 . . . . 10.0 111.318 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 67.0 t -105.76 108.0 23.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.016 0.436 . . . . 10.0 110.993 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -69.57 145.48 52.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.068 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -104.22 81.83 1.88 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.091 0.472 . . . . 10.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.163 -0.922 . . . . 10.0 109.595 179.847 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' ' DC' . . . . . 0.747 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 99.661 -2.171 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' ' DG' . . . . . 0.57 H2'' ' H72' ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.979 0 C3'-C2'-C1' 99.353 -2.39 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' ' DT' . . . . . 0.878 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.036 0 C3'-C2'-C1' 99.096 -2.574 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' ' DG' . . . . . 0.878 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 C3'-C2'-C1' 99.384 -2.369 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' ' DA' . . . . . 0.757 H2'' ' OP2' ' X' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.206 0 C3'-C2'-C1' 99.234 -2.476 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' ' DT' . . . . . 0.757 ' OP2' H2'' ' X' ' 5' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.099 0 C3'-C2'-C1' 99.509 -2.279 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' ' DA' . . . . . 0.688 " H1'" " H5'" ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.046 0 O4'-C1'-C2' 103.706 -2.176 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' ' DT' . . . . . 0.688 " H5'" " H1'" ' X' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.063 0 C3'-C2'-C1' 99.49 -2.293 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' ' DA' . . . . . 0.575 ' OP2' H2'' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 103.73 -2.155 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.056 0 C3'-C2'-C1' 99.288 -2.437 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' ' DA' . . . . . 0.633 H2'' ' OP2' ' X' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.056 0 C3'-C2'-C1' 99.64 -2.186 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' ' DG' . . . . . 0.633 ' OP2' H2'' ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.037 0 C3'-C2'-C1' 99.406 -2.353 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' ' DT' . . . . . 0.706 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 99.586 -2.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' ' DG' . . . . . 0.706 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.062 0 O4'-C1'-C2' 103.756 -2.131 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' ' DC' . . . . . 0.594 ' C6 ' H2'' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-C1' 99.583 -2.227 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.775 H2'' ' C6 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.999 0 C3'-C2'-C1' 99.644 -2.183 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.775 ' C6 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.9 0 C3'-C2'-C1' 99.619 -2.2 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.505 " H1'" " H5'" ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-C2' 103.741 -2.145 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.737 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.132 0 C3'-C2'-C1' 99.481 -2.299 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.737 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.505 -1.136 0 C3'-C2'-C1' 99.847 -2.038 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.459 ' OP2' H2'' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.132 0 C3'-C2'-C1' 99.497 -2.288 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.631 ' H72' ' CZ2' ' B' ' 9' ' ' TRP . . . . . . . . 0 C2'--C1' 1.507 -0.969 0 C3'-C2'-C1' 99.53 -2.265 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.497 H2'' ' OP2' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.953 0 C3'-C2'-C1' 99.416 -2.345 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.497 ' OP2' H2'' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.918 0 C3'-C2'-C1' 99.671 -2.163 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 O4'-C1'-C2' 103.781 -2.108 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Y' Y ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.01 0 C3'-C2'-C1' 99.376 -2.374 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.951 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.091 0 C3'-C2'-C1' 99.184 -2.512 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.951 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.046 0 C3'-C2'-C1' 99.628 -2.194 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 C3'-C2'-C1' 99.231 -2.478 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.747 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C3'-C2'-C1' 99.557 -2.245 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.663 -0.575 . . . . 10.0 111.663 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.2 mt -116.03 137.68 48.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -107.71 88.59 2.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 10.0 110.966 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 m -99.02 143.42 29.32 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.269 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.13 123.79 29.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.83 96.7 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.001 0.429 . . . . 10.0 109.99 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -85.37 -178.86 6.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.572 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -105.66 119.07 38.2 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 10.0 111.288 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.794 ' O ' ' H72' ' X' ' 6' ' ' ' DT' . 3.6 t90 -84.6 90.03 7.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.645 -1.243 . . . . 10.0 107.645 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.42 -90.33 0.83 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.555 -0.831 . . . . 10.0 111.298 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -128.34 -0.68 5.68 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 p -126.21 149.38 66.72 Favored Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 110.482 -0.192 . . . . 10.0 110.482 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.56 143.18 67.73 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.924 2.416 . . . . 10.0 112.697 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.55 129.2 21.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.906 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.89 123.91 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.066 -0.516 . . . . 10.0 109.936 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -71.39 109.59 5.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.68 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.5 mt -119.88 103.56 45.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.11 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -53.92 147.42 42.42 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 123.263 2.642 . . . . 10.0 112.512 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.66 -22.95 66.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.442 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.5 -39.24 76.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.646 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.03 -34.85 59.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.671 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.8 mmm -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.433 -0.803 . . . . 10.0 110.643 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -68.75 -34.74 76.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.935 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.6 -35.49 75.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.243 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -92.14 -4.37 54.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.14 0.495 . . . . 10.0 111.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 66.0 61.76 0.62 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -142.64 141.79 31.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.934 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -113.49 -168.7 1.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.294 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.5 mm -68.49 146.23 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.249 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t0 72.3 18.07 4.73 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.652 0.595 . . . . 10.0 111.678 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.401 ' CG ' ' HZ1' ' A' ' 49' ' ' LYS . 2.7 t70 -81.03 145.85 30.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.215 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -90.21 124.96 35.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.423 0.63 . . . . 10.0 111.165 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.6 m -118.37 136.44 55.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.326 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -89.13 105.6 17.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.67 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.4 mt -83.91 97.41 4.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.46 157.23 16.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.293 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.2 tp -116.99 105.08 11.93 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -126.31 125.51 67.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.971 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t0 58.28 33.71 23.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.131 0.491 . . . . 10.0 111.946 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.24 21.29 73.88 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.373 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.9 147.32 44.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.656 0.265 . . . . 10.0 110.528 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.9 mt -80.97 110.55 16.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.178 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.7 mm -102.04 97.45 5.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.192 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.6 mp -90.3 99.4 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -107.74 109.14 62.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.205 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.61 145.14 41.24 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.197 1.931 . . . . 10.0 111.651 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.1 t -73.09 118.1 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -60.62 144.44 51.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.199 -0.455 . . . . 10.0 112.081 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.401 ' HZ1' ' CG ' ' A' ' 31' ' ' ASP . 39.5 mmtm -105.53 42.3 1.26 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.431 0.634 . . . . 10.0 109.729 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 115.179 -0.919 . . . . 10.0 110.214 -179.126 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 112.025 -0.43 . . . . 10.0 112.025 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 25.2 pt -98.82 156.31 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.602 0.239 . . . . 10.0 110.489 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -107.84 105.15 14.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.738 0.304 . . . . 10.0 110.804 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -111.0 171.67 7.33 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 6.1 p -118.05 140.76 49.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.062 0.458 . . . . 10.0 112.114 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 t -81.77 107.35 13.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -95.72 170.95 8.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.07 0.462 . . . . 10.0 111.307 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -90.17 112.67 24.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.729 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.663 ' CZ2' ' H72' ' Y' ' 7' ' ' ' DT' . 5.1 t90 -92.64 82.6 4.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.941 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.12 -80.26 1.4 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.311 -0.716 . . . . 10.0 111.311 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.612 ' ND2' ' H5 ' ' Y' ' 4' ' ' ' DC' . 3.8 t30 -111.05 -71.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.135 0.493 . . . . 10.0 110.031 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -88.62 156.93 50.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.469 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.54 173.04 12.26 Favored 'Trans proline' 0 C--O 1.238 0.497 0 C-N-CA 122.714 2.276 . . . . 10.0 113.331 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.34 152.36 10.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.2 -0.909 . . . . 10.0 109.601 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 91.2 t -106.9 120.2 57.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.751 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.471 ' NH2' " H2'" ' X' ' 6' ' ' ' DT' . 79.5 mtm-85 -83.91 133.27 34.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.205 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 89.7 mt -126.74 124.14 24.02 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.662 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -42.1 134.42 4.25 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.797 2.998 . . . . 10.0 113.236 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.75 -27.38 59.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.419 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.2 p -59.71 -37.76 79.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.208 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.3 -34.53 70.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.533 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 35.9 mmm -63.88 -39.85 95.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.091 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -67.91 -33.13 74.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.668 -0.697 . . . . 10.0 110.626 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.7 -34.41 60.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 mt -86.29 -10.88 53.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.779 0.659 . . . . 10.0 112.779 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 61.9 t30 73.39 63.93 0.09 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.383 0.611 . . . . 10.0 112.536 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -152.81 160.08 43.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.55 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -134.65 -166.76 1.86 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.799 -0.361 . . . . 10.0 111.509 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.8 mm -69.29 140.29 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.691 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 75.77 19.24 2.01 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.843 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.26 131.79 35.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.149 178.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.4 119.04 24.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.109 0.48 . . . . 10.0 110.488 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 m -106.66 143.94 16.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.7 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -89.21 101.23 13.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.543 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -77.76 101.12 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.51 136.34 47.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.573 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 tp -101.31 91.04 4.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.043 0.449 . . . . 10.0 109.946 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.9 t -100.95 122.78 53.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.527 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 60.55 26.36 16.03 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.842 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.34 17.5 77.8 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.461 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.05 148.99 41.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.735 0.303 . . . . 10.0 110.87 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -81.08 100.4 9.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.738 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 20.6 mm -99.74 102.56 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.844 -0.617 . . . . 10.0 109.374 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -88.9 107.99 18.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.263 0.554 . . . . 10.0 110.507 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -110.46 105.08 56.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.121 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.4 142.69 41.42 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.252 1.968 . . . . 10.0 111.445 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.14 101.93 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -44.32 112.44 0.41 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.196 -0.911 . . . . 10.0 112.134 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -82.58 67.45 8.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.247 0.546 . . . . 10.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.399 -0.81 . . . . 10.0 109.177 179.597 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' ' DC' . . . . . 0.758 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.045 0 C3'-C2'-C1' 99.539 -2.258 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.994 0 C3'-C2'-C1' 99.619 -2.2 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' ' DT' . . . . . 0.801 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.889 0 C3'-C2'-C1' 99.425 -2.339 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' ' DG' . . . . . 0.801 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.936 0 C3'-C2'-C1' 99.427 -2.338 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' ' DA' . . . . . 0.457 ' C8 ' ' H71' ' X' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.08 0 C3'-C2'-C1' 99.428 -2.337 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' ' DT' . . . . . 0.794 ' H72' ' O ' ' A' ' 9' ' ' TRP . . . . . . . . 0 C2'--C1' 1.507 -1.032 0 O4'-C1'-C2' 103.746 -2.14 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' ' DA' . . . . . 0.445 H2'' ' OP2' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.022 0 C3'-C2'-C1' 99.668 -2.166 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' ' DT' . . . . . 0.575 H2'' ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.834 0 C3'-C2'-C1' 99.701 -2.142 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' ' DA' . . . . . 0.575 ' OP2' H2'' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.503 -1.269 0 C3'-C2'-C1' 98.81 -2.778 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' ' DT' . . . . . 0.442 ' H73' ' C8 ' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 C3'-C2'-C1' 99.187 -2.509 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' ' DA' . . . . . 0.53 ' OP2' " H2'" ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.879 0 O4'-C1'-C2' 103.633 -2.243 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' ' DG' . . . . . 0.548 " C2'" ' H73' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.808 0 O4'-C1'-C2' 103.633 -2.243 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' ' DT' . . . . . 0.736 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.007 0 C3'-C2'-C1' 98.904 -2.711 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' ' DG' . . . . . 0.736 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.079 0 C3'-C2'-C1' 99.437 -2.331 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' ' DC' . . . . . 0.402 ' C5 ' H2'' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.997 0 C3'-C2'-C1' 99.575 -2.232 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.631 H2'' ' C5 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-C1' 99.611 -2.207 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.631 ' C5 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.904 0 C3'-C2'-C1' 99.739 -2.115 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.582 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.866 0 C3'-C2'-C1' 99.644 -2.183 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.763 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.995 0 O4'-C1'-C2' 103.712 -2.171 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.763 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.952 0 C3'-C2'-C1' 99.708 -2.137 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.537 ' OP2' H2'' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.984 0 C3'-C2'-C1' 99.675 -2.161 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.663 ' H72' ' CZ2' ' B' ' 9' ' ' TRP . . . . . . . . 0 C2'--C1' 1.506 -1.041 0 C3'-C2'-C1' 99.525 -2.268 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.538 ' C8 ' ' H72' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.022 0 C3'-C2'-C1' 99.397 -2.359 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.538 ' H72' ' C8 ' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.063 0 C3'-C2'-C1' 99.472 -2.306 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.937 0 C3'-C2'-C1' 99.696 -2.146 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Y' Y ' 11' ' ' ' DT' . . . . . 0.436 H2'' ' C6 ' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 C3'-C2'-C1' 99.114 -2.561 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.876 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.142 0 C3'-C2'-C1' 98.889 -2.722 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.876 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.972 0 C3'-C2'-C1' 99.633 -2.19 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 99.565 -2.239 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.758 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.006 0 C3'-C2'-C1' 99.477 -2.302 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 112.185 -0.366 . . . . 10.0 112.185 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 mt -74.24 139.8 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 110.419 -0.215 . . . . 10.0 110.419 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -90.12 126.13 35.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.3 m -138.54 143.15 39.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.723 0.297 . . . . 10.0 111.521 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.83 125.6 39.6 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.883 0.373 . . . . 10.0 111.263 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -77.46 112.41 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.44 . . . . 10.0 109.876 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -91.05 177.22 6.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.83 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -100.28 116.74 32.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.836 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.483 ' CZ2' ' H73' ' X' ' 8' ' ' ' DT' . 4.6 t90 -90.9 84.93 5.85 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.34 -65.88 3.56 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.594 ' ND2' " H2'" ' X' ' 4' ' ' ' DG' . 4.0 t30 -144.47 -41.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.2 0.524 . . . . 10.0 109.926 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -91.36 136.57 26.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.224 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.99 152.2 83.21 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.651 2.234 . . . . 10.0 112.063 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.95 139.55 30.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.126 0.489 . . . . 10.0 111.881 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.9 t -94.56 111.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.011 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -66.3 127.29 31.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.426 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.0 mm -105.96 121.9 44.2 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.074 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.58 124.88 17.36 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.57 2.18 . . . . 10.0 112.075 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.79 -30.32 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.329 0.585 . . . . 10.0 110.531 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -40.8 89.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.414 -0.812 . . . . 10.0 109.801 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.2 -32.21 66.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.417 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.0 mmm -59.24 -44.39 92.35 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.557 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -69.51 -32.56 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.452 -0.795 . . . . 10.0 110.717 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.94 45.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.12 -16.99 63.19 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.4 t30 74.19 60.42 0.08 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.53 162.1 36.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.933 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -126.02 176.08 7.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.565 0.221 . . . . 10.0 110.806 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.7 146.33 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.265 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.53 20.53 3.1 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.023 0.529 . . . . 10.0 112.185 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -76.93 139.14 40.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.72 100.9 12.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.006 0.432 . . . . 10.0 111.493 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.4 m -94.64 138.05 21.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.101 0.477 . . . . 10.0 110.435 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -91.45 95.17 9.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.41 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mt -70.99 109.27 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.97 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.85 147.97 33.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.541 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.29 100.19 9.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.511 -179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.7 t -122.8 120.82 61.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.565 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.38 23.37 13.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.92 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.29 18.04 78.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.803 -0.713 . . . . 10.0 111.603 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -117.32 150.4 38.88 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.7 mt -87.28 107.95 18.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.526 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.4 mm -93.46 107.32 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.64 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mm -93.73 102.41 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.358 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -117.45 111.61 39.81 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.386 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.3 128.42 19.36 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.821 2.347 . . . . 10.0 112.28 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 t -99.63 95.16 3.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.297 0.57 . . . . 10.0 109.741 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -65.14 98.67 0.32 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.74 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -74.51 87.94 2.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.068 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.518 -0.754 . . . . 10.0 110.973 -179.583 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 112.027 -0.429 . . . . 10.0 112.027 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 44.3 mt -103.73 127.45 57.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.95 -0.389 . . . . 10.0 109.95 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -85.15 110.14 18.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.058 0.456 . . . . 10.0 111.524 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 10.8 m -128.15 146.21 50.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.378 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.28 132.2 35.67 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 44.4 t -77.31 102.16 3.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -84.51 172.82 11.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.407 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.518 ' O ' ' H72' ' X' ' 8' ' ' ' DT' . 60.6 ttt180 -98.44 117.75 33.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.176 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -90.3 81.24 6.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.154 0.502 . . . . 10.0 110.931 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 -65.95 2.98 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.244 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -126.86 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.645 0.259 . . . . 10.0 110.472 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 42.0 m -87.66 149.27 45.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.423 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -69.95 155.86 64.28 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.624 2.216 . . . . 10.0 111.756 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.14 136.13 17.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.872 0.368 . . . . 10.0 111.046 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 56.9 t -86.14 113.77 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -72.99 120.0 18.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.638 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 47.2 mm -107.24 112.31 62.91 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -53.44 140.96 63.1 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.678 2.252 . . . . 10.0 111.784 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.64 -23.0 64.43 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.972 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -43.26 99.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.309 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.35 -32.4 60.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.915 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 74.8 mmm -59.53 -35.92 75.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.78 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -82.75 -6.71 59.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.778 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.3 -34.68 16.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.11 0.481 . . . . 10.0 110.361 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 80.8 mt -94.21 -14.71 25.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.244 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 62.5 t30 70.16 59.88 0.25 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.364 -0.835 . . . . 10.0 112.798 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -129.28 150.83 50.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.284 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -113.5 -172.05 2.0 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -76.61 140.82 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.198 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 75.37 9.89 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.775 0.672 . . . . 10.0 111.737 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.61 124.9 24.54 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -82.04 98.0 8.41 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.319 0.581 . . . . 10.0 111.991 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 22.7 m -90.48 164.15 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -105.26 120.55 41.82 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.441 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.3 mt -104.49 108.74 25.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -119.82 153.76 35.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.829 0.347 . . . . 10.0 110.761 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.56 97.15 8.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.489 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 41.8 t -123.56 135.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.04 -0.527 . . . . 10.0 109.932 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 t70 64.89 13.35 8.49 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.647 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.75 25.49 56.1 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.584 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -143.45 169.36 17.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.685 -0.303 . . . . 10.0 110.854 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.76 111.42 18.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.409 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 32.8 mm -101.41 105.34 17.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 35.1 mm -89.79 100.42 10.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.925 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -103.32 114.5 64.94 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.613 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.96 131.83 26.55 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.738 2.292 . . . . 10.0 112.043 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.5 117.84 53.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.919 0.39 . . . . 10.0 110.11 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -87.13 123.97 32.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.614 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -79.12 79.63 5.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.306 0.574 . . . . 10.0 109.913 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.551 -179.157 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' ' DC' . . . . . 0.737 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.074 0 C3'-C2'-C1' 99.459 -2.315 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.968 0 O4'-C1'-C2' 103.862 -2.034 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' ' DT' . . . . . 0.84 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.984 0 C3'-C2'-C1' 99.539 -2.258 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' ' DG' . . . . . 0.84 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.987 0 O4'-C1'-C2' 103.701 -2.181 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' ' DA' . . . . . 0.465 ' N7 ' ' H71' ' X' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.102 0 C3'-C2'-C1' 99.251 -2.463 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' ' DT' . . . . . 0.465 ' H71' ' N7 ' ' X' ' 5' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.983 0 O4'-C1'-C2' 103.738 -2.147 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.928 0 C3'-C2'-C1' 99.512 -2.277 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' ' DT' . . . . . 0.606 H2'' ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.0 0 C3'-C2'-C1' 99.539 -2.258 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' ' DA' . . . . . 0.606 ' OP2' H2'' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 C3'-C2'-C1' 99.447 -2.323 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' ' DT' . . . . . 0.409 ' H73' ' C8 ' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.108 0 C3'-C2'-C1' 99.344 -2.397 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' ' DA' . . . . . 0.462 ' OP2' " H2'" ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 O4'-C1'-C2' 103.59 -2.282 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' ' DG' . . . . . 0.48 " C2'" ' H73' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.115 0 C3'-C2'-C1' 99.273 -2.448 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' ' DT' . . . . . 0.803 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.926 0 C3'-C2'-C1' 99.558 -2.244 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' ' DG' . . . . . 0.803 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.068 0 C3'-C2'-C1' 99.35 -2.393 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' ' DC' . . . . . 0.489 ' C6 ' H2'' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.889 0 C3'-C2'-C1' 99.556 -2.246 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.666 H2'' ' C5 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.917 0 C3'-C2'-C1' 99.467 -2.31 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.666 ' C5 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 C3'-C2'-C1' 99.52 -2.272 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.598 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.058 0 C3'-C2'-C1' 99.536 -2.26 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.701 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.068 0 C3'-C2'-C1' 99.658 -2.173 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.701 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.944 0 O4'-C1'-C2' 103.662 -2.216 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.526 " H1'" " H5'" ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.138 0 C3'-C2'-C1' 99.675 -2.161 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.549 H2'' ' OP2' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.2 0 C3'-C2'-C1' 99.246 -2.467 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.549 ' OP2' H2'' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.314 -2.419 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.487 ' OP2' H2'' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.925 0 C3'-C2'-C1' 99.738 -2.116 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 10' ' ' ' DA' . . . . . 0.477 ' OP2' " H2'" ' Y' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.139 0 C3'-C2'-C1' 99.67 -2.164 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 11' ' ' ' DT' . . . . . 0.466 ' H73' ' C8 ' ' Y' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.981 0 C3'-C2'-C1' 99.392 -2.363 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.821 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.282 0 C3'-C2'-C1' 99.371 -2.378 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.821 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.99 0 C3'-C2'-C1' 99.327 -2.409 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.978 0 C3'-C2'-C1' 99.637 -2.188 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.737 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.043 0 C3'-C2'-C1' 99.339 -2.401 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.654 -0.578 . . . . 10.0 111.654 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.2 pt -94.99 140.86 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 122.63 -0.336 . . . . 10.0 110.203 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -90.41 130.75 36.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.155 0.503 . . . . 10.0 111.541 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.0 m -149.27 163.98 36.14 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.55 136.47 54.89 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.731 0.3 . . . . 10.0 111.295 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.9 t -78.74 101.57 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -91.59 162.78 14.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.109 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.47 ' O ' ' H73' ' Y' ' 7' ' ' ' DT' . 7.8 ttm180 -83.3 125.45 31.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.269 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -104.32 84.21 2.18 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.54 -62.34 4.35 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -138.98 -65.09 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.393 . . . . 10.0 110.06 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -80.46 143.85 56.22 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.396 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.38 153.73 61.12 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.496 2.13 . . . . 10.0 111.376 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.43 145.68 31.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.211 0.529 . . . . 10.0 112.094 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.0 t -98.5 123.07 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.357 179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.5 mtt180 -82.34 128.06 33.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.952 0.406 . . . . 10.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.7 mm -120.79 100.58 46.31 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.411 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -55.18 159.48 9.93 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.791 2.327 . . . . 10.0 111.985 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.73 -28.76 16.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.584 0.957 . . . . 10.0 113.584 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -49.52 75.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.66 -32.29 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.27 -178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 92.9 mmm -61.92 -43.65 98.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.468 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -74.64 -24.86 58.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.796 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.54 -41.53 96.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.0 -12.3 28.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.914 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 69.74 51.52 0.45 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.037 0.836 . . . . 10.0 111.752 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -121.11 159.52 25.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.07 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -120.38 -166.68 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.083 0.468 . . . . 10.0 111.662 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 mm -78.03 149.7 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.45 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 69.19 18.89 8.08 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.241 0.616 . . . . 10.0 111.788 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -73.93 145.47 44.69 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.8 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -93.02 98.03 11.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.288 0.566 . . . . 10.0 111.895 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.8 m -94.37 141.74 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.092 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -97.51 121.43 39.4 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.6 mt -100.17 110.7 27.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.352 -0.385 . . . . 10.0 109.999 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -120.41 168.16 11.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.388 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -112.02 40.82 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.919 0.39 . . . . 10.0 111.768 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.1 t -69.01 131.31 33.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.384 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 69.69 8.81 6.92 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.31 0.644 . . . . 10.0 112.204 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.87 24.69 54.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.862 -0.685 . . . . 10.0 113.299 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.43 170.86 15.36 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.665 -0.315 . . . . 10.0 110.307 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -81.6 101.44 10.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.849 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.8 mm -87.6 107.56 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.5 mm -106.77 99.24 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.903 0.382 . . . . 10.0 111.015 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -121.63 121.4 28.32 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.145 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -80.36 156.12 22.16 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.785 2.323 . . . . 10.0 111.833 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.44 132.38 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.0 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -77.15 109.45 11.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.264 0.554 . . . . 10.0 110.819 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -84.65 85.79 7.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.45 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.427 -0.797 . . . . 10.0 110.122 179.738 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.407 0 N-CA-C 112.141 -0.384 . . . . 10.0 112.141 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 mt -88.61 148.26 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.632 -0.506 . . . . 10.0 109.632 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -95.24 129.81 42.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.069 0.462 . . . . 10.0 111.206 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.55 156.28 48.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.184 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -105.0 128.8 53.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.971 0.415 . . . . 10.0 111.841 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 32.4 t -67.84 111.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -98.46 -179.08 4.22 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.23 0.455 . . . . 10.0 112.23 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -105.51 114.1 28.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 10.0 112.207 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.483 ' CZ2' ' H72' ' Y' ' 7' ' ' ' DT' . 3.6 t90 -89.96 79.01 6.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.697 -1.223 . . . . 10.0 107.697 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.0 -55.58 4.8 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.52 -1.032 . . . . 10.0 110.52 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -152.13 -52.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' SER . . . . . 0.634 ' OG ' " H2'" ' Y' ' 4' ' ' ' DC' . 0.8 OUTLIER -69.93 139.77 88.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.252 -0.886 . . . . 10.0 112.037 -179.363 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -66.07 133.28 32.7 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 123.052 2.502 . . . . 10.0 110.366 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.37 132.6 47.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.011 0.434 . . . . 10.0 111.895 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 38.9 t -93.68 113.06 27.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.522 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -69.89 122.68 19.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.538 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 42.4 mm -106.83 118.55 53.93 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -50.52 124.27 12.96 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.907 2.405 . . . . 10.0 112.01 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.95 -30.48 66.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.966 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -40.33 86.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.761 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.84 -27.9 63.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.175 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.6 mmm -62.59 -27.87 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.502 0.668 . . . . 10.0 109.733 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -82.4 -10.93 58.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.442 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.45 -38.33 26.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 10.0 110.437 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 74.3 mt -90.89 -8.03 50.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.22 0.533 . . . . 10.0 109.698 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 52.4 t30 64.27 60.45 0.96 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.713 -1.131 . . . . 10.0 113.165 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -131.55 148.93 52.66 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -108.5 -173.32 2.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.811 0.339 . . . . 10.0 110.598 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mm -75.39 149.68 6.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 76.23 4.83 3.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.933 0.493 . . . . 10.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.99 133.4 45.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.54 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -74.03 129.81 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.987 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 m -123.26 144.03 34.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.268 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.1 113.07 25.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.341 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 54.7 mt -93.43 102.29 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.6 130.68 56.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.313 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.33 75.6 6.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.157 -0.474 . . . . 10.0 109.829 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.2 134.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.08 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 66.92 24.77 9.58 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.943 0.72 . . . . 10.0 112.943 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.57 18.1 79.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.839 -0.696 . . . . 10.0 113.243 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -137.68 165.14 27.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.757 0.279 . . . . 10.0 110.539 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 56.4 mt -85.45 108.5 17.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.162 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 36.0 mm -95.93 102.17 13.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.9 mm -96.58 110.64 25.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.2 0.524 . . . . 10.0 110.79 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -111.11 127.58 26.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.331 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.95 127.89 16.83 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.765 2.31 . . . . 10.0 111.35 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 61.1 t -106.34 111.97 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.909 0.385 . . . . 10.0 111.087 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -82.28 123.63 29.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.608 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -89.5 88.45 7.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.379 0.609 . . . . 10.0 112.136 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--O 1.253 1.266 0 CA-C-O 117.956 -1.021 . . . . 10.0 109.707 179.714 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' ' DC' . . . . . 0.74 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.041 0 O4'-C1'-C2' 103.832 -2.062 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.043 0 C3'-C2'-C1' 99.571 -2.235 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' ' DT' . . . . . 0.739 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.879 0 C3'-C2'-C1' 99.558 -2.244 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' ' DG' . . . . . 0.739 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.097 0 C3'-C2'-C1' 99.338 -2.402 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' ' DA' . . . . . 0.727 H2'' ' OP2' ' X' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.247 0 C3'-C2'-C1' 99.265 -2.454 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' ' DT' . . . . . 0.727 ' OP2' H2'' ' X' ' 5' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.123 0 C3'-C2'-C1' 99.675 -2.16 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' ' DA' . . . . . 0.485 ' OP2' H2'' ' X' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.004 0 C3'-C2'-C1' 99.572 -2.235 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' ' DT' . . . . . 0.639 H2'' ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.09 0 C3'-C2'-C1' 99.576 -2.231 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' ' DA' . . . . . 0.639 ' OP2' H2'' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.04 0 C3'-C2'-C1' 99.507 -2.281 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' ' DT' . . . . . 0.518 ' H73' H2'' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.959 0 C3'-C2'-C1' 99.272 -2.448 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.16 0 C3'-C2'-C1' 99.648 -2.18 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 99.461 -2.314 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 13' ' ' ' DT' . . . . . 0.838 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.085 0 C3'-C2'-C1' 99.435 -2.332 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 14' ' ' ' DG' . . . . . 0.838 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.069 0 C3'-C2'-C1' 99.557 -2.245 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.017 0 C3'-C2'-C1' 99.574 -2.233 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.676 H2'' ' C6 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.096 0 C3'-C2'-C1' 99.618 -2.201 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.676 ' C6 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.093 0 C3'-C2'-C1' 99.351 -2.392 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.553 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.842 0 O4'-C1'-C2' 103.695 -2.186 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.766 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.19 0 C3'-C2'-C1' 99.411 -2.349 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.766 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.51 -0.776 0 O4'-C1'-C2' 103.535 -2.332 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.562 H2'' ' OP2' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.503 -1.265 0 C3'-C2'-C1' 99.435 -2.332 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.562 ' OP2' H2'' ' Y' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.208 0 C3'-C2'-C1' 99.489 -2.294 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.528 ' OP2' H2'' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.981 0 C3'-C2'-C1' 99.36 -2.386 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.618 H2'' ' C8 ' ' Y' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C3'-C2'-C1' 99.29 -2.436 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 10' ' ' ' DA' . . . . . 0.618 ' C8 ' H2'' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.044 0 O4'-C1'-C2' 103.82 -2.072 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 C3'-C2'-C1' 99.464 -2.312 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.775 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.075 0 C3'-C2'-C1' 98.995 -2.647 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.775 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.021 0 C3'-C2'-C1' 99.507 -2.28 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.026 0 C3'-C2'-C1' 99.498 -2.287 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.74 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.948 0 O4'-C1'-C2' 103.742 -2.143 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.027 -0.429 . . . . 10.0 112.027 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.1 mt -93.4 123.1 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -91.42 108.47 19.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.949 0.404 . . . . 10.0 110.786 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -121.9 142.93 49.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.503 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.12 138.65 31.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.504 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.5 t -94.29 131.24 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.884 0.373 . . . . 10.0 110.7 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -119.65 174.21 6.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.2 ttm105 -95.62 131.71 41.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.29 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.55 ' CZ2' ' H72' ' X' ' 8' ' ' ' DT' . 5.2 t90 -102.95 83.47 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.28 -83.33 1.61 Allowed Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.948 -0.861 . . . . 10.0 110.948 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -119.45 -52.55 2.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.425 . . . . 10.0 110.011 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.431 ' OG ' ' H8 ' ' X' ' 5' ' ' ' DA' . 14.8 m -91.06 147.28 35.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.122 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -68.45 167.89 21.19 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.703 2.269 . . . . 10.0 112.641 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.09 131.6 5.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.357 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.7 t -85.09 115.75 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.877 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -77.96 125.74 29.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.378 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.8 mt -119.73 125.33 27.48 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.149 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -46.59 132.3 16.23 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.668 2.912 . . . . 10.0 112.45 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.9 -30.89 66.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.661 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -33.66 76.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.691 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.29 -30.27 60.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 22.7 mmm -63.28 -36.96 85.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.425 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.58 -29.37 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -16.94 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.771 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.7 mt -103.92 -3.49 24.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.557 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.9 t30 65.79 9.95 6.43 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.536 0.939 . . . . 10.0 113.536 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.72 165.63 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.666 -0.414 . . . . 10.0 110.655 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -128.47 -172.47 2.71 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.692 0.282 . . . . 10.0 111.118 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.3 mm -75.79 147.27 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t70 76.83 3.28 3.39 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.626 0.579 . . . . 10.0 111.423 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.96 165.86 24.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.308 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -107.84 139.6 42.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.286 0.565 . . . . 10.0 111.139 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.9 m -123.27 136.02 61.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.811 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -89.59 98.58 11.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.806 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.3 mt -77.94 111.73 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.127 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.23 126.57 52.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.292 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 tp -90.02 85.21 6.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.495 -0.558 . . . . 10.0 109.495 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t -109.62 128.49 65.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.142 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t0 61.94 20.47 11.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.811 -0.631 . . . . 10.0 112.543 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.95 12.48 82.59 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.818 -0.706 . . . . 10.0 112.534 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.36 150.58 37.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.984 0.421 . . . . 10.0 110.375 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.3 mt -82.17 97.79 8.39 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.307 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.9 mm -93.06 95.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -86.21 108.72 17.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.522 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -112.58 105.73 55.89 Favored Pre-proline 0 N--CA 1.451 -0.424 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.761 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.03 145.08 84.4 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.648 2.232 . . . . 10.0 111.665 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -72.25 108.24 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.124 0.488 . . . . 10.0 109.844 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -54.43 133.52 45.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.066 -0.97 . . . . 10.0 111.726 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -87.51 88.91 7.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.851 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.179 -0.915 . . . . 10.0 110.417 -179.17 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.155 -0.778 . . . . 10.0 111.155 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 46.2 mt -110.34 119.32 59.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.806 0.303 . . . . 10.0 110.826 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -100.18 88.49 3.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.168 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -90.59 155.42 18.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.705 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.87 133.59 41.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.049 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 t -83.82 93.0 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -82.84 164.14 20.74 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.94 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -90.52 106.88 18.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.834 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.485 ' O ' ' H73' ' Y' ' 5' ' ' ' DT' . 3.9 t90 -84.51 80.63 9.17 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.777 -1.194 . . . . 10.0 107.777 178.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.55 -58.61 4.87 Favored Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -159.18 -47.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' SER . . . . . 0.472 ' OG ' ' H6 ' ' Y' ' 4' ' ' ' DC' . 11.7 m -75.71 128.76 83.04 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.334 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -71.2 150.12 58.94 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.772 2.314 . . . . 10.0 112.173 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.73 137.66 38.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.623 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 44.0 t -80.0 125.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.406 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.472 ' NH2' ' H72' ' X' ' 6' ' ' ' DT' . 6.4 mmt-85 -73.59 93.22 2.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.951 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 78.0 mt -107.21 111.97 63.11 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.944 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.67 146.13 96.22 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.911 2.407 . . . . 10.0 111.968 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.88 -26.24 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.053 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -39.0 81.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.009 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.07 -35.11 66.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.468 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.8 mmm -62.11 -40.56 96.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.106 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -65.84 -33.29 75.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.704 . . . . 10.0 111.382 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.88 64.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.3 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 68.4 mt -93.7 -10.06 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.25 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 70.31 36.2 1.86 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.41 161.74 21.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -139.65 -165.14 1.82 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 mm -70.61 148.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.111 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 75.14 5.59 4.24 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.425 ' CG ' ' HZ1' ' B' ' 49' ' ' LYS . 4.8 t0 -82.0 169.12 17.12 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -114.88 143.85 44.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.067 0.46 . . . . 10.0 110.455 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 16.4 m -124.37 139.38 50.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.826 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -92.63 92.15 7.87 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 50.3 mt -75.76 109.38 9.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.023 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -104.94 139.87 39.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.13 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 tp -101.67 85.82 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.272 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.5 t -91.57 111.24 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.817 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 63.03 12.16 5.71 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.847 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.02 5.92 54.41 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.728 -0.748 . . . . 10.0 112.208 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.39 147.43 23.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.648 0.261 . . . . 10.0 110.305 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 95.1 mt -83.2 93.18 7.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.419 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 18.4 mm -92.42 91.19 3.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 55.2 mt -84.37 95.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.107 0.479 . . . . 10.0 110.394 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -104.95 107.54 58.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.787 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -67.73 157.27 62.53 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.75 2.3 . . . . 10.0 112.371 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 77.9 t -82.64 118.87 31.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.251 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -54.75 151.29 8.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.24 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.425 ' HZ1' ' CG ' ' B' ' 31' ' ' ASP . 44.0 mmtm -115.4 27.45 9.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.611 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 . . . . . 0 C--O 1.246 0.917 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.092 -179.521 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' ' DC' . . . . . 0.74 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.949 0 C3'-C2'-C1' 99.294 -2.433 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' ' DG' . . . . . 0.516 H2'' ' C6 ' ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.999 0 C3'-C2'-C1' 99.671 -2.163 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' ' DT' . . . . . 0.89 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.505 -1.129 0 C3'-C2'-C1' 98.98 -2.657 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' ' DG' . . . . . 0.89 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.975 0 C3'-C2'-C1' 99.471 -2.307 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' ' DA' . . . . . 0.656 H2'' ' OP2' ' X' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.126 0 C3'-C2'-C1' 99.077 -2.588 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' ' DT' . . . . . 0.656 ' OP2' H2'' ' X' ' 5' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.055 0 C3'-C2'-C1' 99.432 -2.334 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' ' DA' . . . . . 0.605 ' OP2' " H2'" ' X' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.059 0 C3'-C2'-C1' 99.381 -2.37 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' ' DT' . . . . . 0.55 ' H72' ' CZ2' ' A' ' 9' ' ' TRP . . . . . . . . 0 C2'--C1' 1.508 -0.901 0 C3'-C2'-C1' 99.688 -2.151 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' ' DA' . . . . . 0.548 ' OP2' H2'' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.066 0 C3'-C2'-C1' 99.478 -2.301 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' ' DT' . . . . . 0.535 ' H6 ' ' OP2' ' X' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.907 0 C3'-C2'-C1' 99.439 -2.329 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' ' DA' . . . . . 0.621 H2'' ' OP2' ' X' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.883 0 O4'-C1'-C2' 103.719 -2.165 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' ' DG' . . . . . 0.621 ' OP2' H2'' ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.254 0 C3'-C2'-C1' 99.719 -2.129 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 13' ' ' ' DT' . . . . . 0.778 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 99.419 -2.344 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 14' ' ' ' DG' . . . . . 0.778 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.934 0 C3'-C2'-C1' 99.648 -2.18 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' ' DC' . . . . . 0.519 ' H6 ' H2'' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.925 0 C3'-C2'-C1' 99.487 -2.295 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.735 H2'' ' C5 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 99.624 -2.197 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.735 ' C5 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.001 0 C3'-C2'-C1' 99.648 -2.18 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.708 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.015 0 C3'-C2'-C1' 99.42 -2.343 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.771 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.01 0 C3'-C2'-C1' 99.659 -2.172 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.771 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.032 0 C3'-C2'-C1' 99.706 -2.139 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.518 " H1'" " H5'" ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 C3'-C2'-C1' 99.652 -2.177 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.528 H2'' ' OP2' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.012 0 O4'-C1'-C2' 103.627 -2.248 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.528 ' OP2' H2'' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.879 0 C3'-C2'-C1' 99.416 -2.345 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.52 ' H72' ' C8 ' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.837 0 O4'-C1'-C2' 103.767 -2.121 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 10' ' ' ' DA' . . . . . 0.493 ' C8 ' H2'' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.969 0 O4'-C1'-C2' 103.631 -2.245 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.211 0 C3'-C2'-C1' 99.542 -2.256 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.901 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.24 0 C3'-C2'-C1' 99.109 -2.565 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.901 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.015 0 C3'-C2'-C1' 99.297 -2.431 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.038 0 C3'-C2'-C1' 99.653 -2.176 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.74 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.085 0 C3'-C2'-C1' 99.587 -2.223 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 111.849 -0.5 . . . . 10.0 111.849 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.3 mt -131.79 145.45 34.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -98.32 97.84 9.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.181 0.515 . . . . 10.0 111.202 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.8 m -88.43 144.92 26.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.796 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -87.77 132.31 34.2 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 t -90.45 102.07 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -104.03 173.79 6.15 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.441 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -102.32 119.27 38.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.949 0.404 . . . . 10.0 111.662 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -115.65 104.82 12.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.3 -73.9 2.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.745 -0.741 . . . . 10.0 111.701 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -147.72 -54.87 0.22 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.78 149.39 63.68 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.278 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.53 150.43 75.17 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.631 2.221 . . . . 10.0 111.275 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.86 130.1 35.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.959 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.2 t -95.81 125.07 48.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.788 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.436 HH22 ' C7 ' ' Y' ' 7' ' ' ' DT' . 5.9 ptp180 -81.14 126.4 31.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.115 0.483 . . . . 10.0 111.378 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.3 mt -113.94 124.49 30.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.885 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.45 140.4 82.73 Favored 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.784 2.323 . . . . 10.0 112.011 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.71 54.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.938 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -34.7 74.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.241 -0.436 . . . . 10.0 112.118 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.25 -31.61 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 10.0 110.806 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.0 mtm -65.53 -37.71 87.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.39 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -74.77 -15.93 60.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.31 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.72 -46.19 10.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.804 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.6 mt -88.84 -12.66 41.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.513 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.24 68.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.428 0.633 . . . . 10.0 111.727 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.83 148.25 50.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.056 178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -111.59 177.28 4.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.951 0.405 . . . . 10.0 111.944 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mm -77.35 143.32 13.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.45 12.55 5.59 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.689 0.618 . . . . 10.0 111.62 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -79.29 164.56 24.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.25 128.39 53.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.312 0.577 . . . . 10.0 111.944 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 m -113.31 140.04 35.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -91.34 100.82 13.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.412 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.2 mt -82.7 113.53 22.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.681 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -112.38 163.22 14.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.061 -0.518 . . . . 10.0 109.703 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.5 tp -123.98 107.29 11.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.144 0.497 . . . . 10.0 110.554 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -127.93 125.45 64.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.313 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 62.97 21.23 12.77 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.614 0.721 . . . . 10.0 111.505 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.41 12.56 84.16 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.773 -0.727 . . . . 10.0 111.777 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.92 145.37 31.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 110.418 -0.215 . . . . 10.0 110.418 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.1 mt -80.01 103.37 9.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.229 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.8 mm -96.06 92.93 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.087 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.5 mp -88.47 100.72 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.298 0.57 . . . . 10.0 109.783 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -105.85 111.6 64.54 Favored Pre-proline 0 N--CA 1.448 -0.554 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.359 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.54 129.67 18.25 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.599 2.199 . . . . 10.0 111.173 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 t -76.42 101.47 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -49.9 137.56 16.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.82 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -99.05 30.33 3.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.152 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.597 -0.716 . . . . 10.0 110.365 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.845 0 N-CA-C 111.964 -0.454 . . . . 10.0 111.964 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 41.8 mt -100.7 117.78 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -95.77 105.0 16.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.88 0.371 . . . . 10.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m -109.34 149.17 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.52 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.55 137.49 32.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.867 0.365 . . . . 10.0 111.145 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 11.3 t -78.96 78.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.445 ' CE ' " H3'" ' X' ' 5' ' ' ' DA' . 74.8 mmtt -69.78 155.72 40.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.837 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -93.63 111.24 22.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.521 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.464 ' CE2' ' H72' ' Y' ' 7' ' ' ' DT' . 3.7 t90 -83.82 74.74 10.16 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.73 -57.4 4.93 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.64 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -146.55 -49.28 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.872 0.367 . . . . 10.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.58 149.67 65.02 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.277 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -80.12 146.88 18.26 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.627 2.218 . . . . 10.0 112.412 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.8 134.42 28.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.778 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -95.39 132.17 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.02 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -82.16 127.09 32.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.47 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 77.2 mt -122.39 119.04 28.57 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.528 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.23 137.2 70.46 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.951 2.434 . . . . 10.0 112.421 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.27 -31.7 70.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.473 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -28.18 68.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.887 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.91 -35.64 23.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.138 0.494 . . . . 10.0 110.114 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 36.1 mmm -61.27 -48.13 82.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.891 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -68.27 -21.02 64.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.498 -0.774 . . . . 10.0 111.069 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.71 -35.94 67.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 48.1 mt -90.48 -7.16 53.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.654 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 t30 74.62 16.7 3.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.218 1.192 . . . . 10.0 114.218 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -94.39 153.39 17.99 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.687 -0.405 . . . . 10.0 109.932 178.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.74 -174.54 2.95 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 27.2 mm -72.63 150.18 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.6 t70 77.85 0.17 2.76 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.599 0.714 . . . . 10.0 111.445 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.76 165.25 25.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.906 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -110.43 131.39 55.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.802 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 8.0 m -111.51 131.54 62.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 10.0 111.266 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -85.36 92.88 8.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.376 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 60.2 mt -78.84 118.21 25.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.03 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -122.82 144.65 49.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.344 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 25.6 tp -95.19 86.88 4.69 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 93.2 t -105.29 126.19 60.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.262 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 63.66 19.17 11.58 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.653 0.596 . . . . 10.0 111.307 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.17 15.66 79.93 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.164 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.36 157.08 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.784 0.326 . . . . 10.0 110.319 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 88.4 mt -81.31 98.33 8.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.681 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 29.5 mm -96.28 106.27 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.956 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -93.36 110.56 23.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.918 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -114.32 101.48 54.17 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.179 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.22 151.29 76.88 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.368 2.045 . . . . 10.0 111.959 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.38 102.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.038 0.447 . . . . 10.0 110.314 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -59.5 126.35 27.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.439 -0.8 . . . . 10.0 111.607 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -81.79 80.01 8.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.147 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.817 0 CA-C-O 118.613 -0.708 . . . . 10.0 110.546 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' ' DC' . . . . . 0.74 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 99.543 -2.255 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.059 0 C3'-C2'-C1' 99.526 -2.267 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' ' DT' . . . . . 0.858 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.077 0 C3'-C2'-C1' 99.209 -2.494 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' ' DG' . . . . . 0.858 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 C3'-C2'-C1' 99.445 -2.325 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' ' DA' . . . . . 0.532 ' OP2' H2'' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.971 0 C3'-C2'-C1' 99.607 -2.209 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' ' DT' . . . . . 0.488 ' OP2' H2'' ' X' ' 5' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.141 0 C3'-C2'-C1' 99.276 -2.446 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' ' DA' . . . . . 0.694 " H1'" " H5'" ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.082 0 C3'-C2'-C1' 99.678 -2.159 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' ' DT' . . . . . 0.694 " H5'" " H1'" ' X' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.992 0 C3'-C2'-C1' 99.479 -2.301 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' ' DA' . . . . . 0.635 ' OP2' " H2'" ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.09 0 C3'-C2'-C1' 99.274 -2.447 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.057 0 C3'-C2'-C1' 99.217 -2.488 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' ' DA' . . . . . 0.607 H2'' ' OP2' ' X' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.964 0 O4'-C1'-C2' 103.669 -2.21 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' ' DG' . . . . . 0.607 ' OP2' H2'' ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.027 0 C3'-C2'-C1' 99.293 -2.434 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 13' ' ' ' DT' . . . . . 0.63 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.052 0 C3'-C2'-C1' 99.407 -2.352 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 14' ' ' ' DG' . . . . . 0.63 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.073 0 C3'-C2'-C1' 99.417 -2.345 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 15' ' ' ' DC' . . . . . 0.519 ' C6 ' H2'' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 C3'-C2'-C1' 99.715 -2.132 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.737 H2'' ' C6 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.09 0 O4'-C1'-C2' 103.784 -2.106 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.737 ' C6 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.997 0 C3'-C2'-C1' 99.748 -2.108 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.611 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.887 0 C3'-C2'-C1' 99.628 -2.195 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.718 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 O4'-C1'-C2' 103.676 -2.203 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.718 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.505 -1.177 0 C3'-C2'-C1' 99.515 -2.275 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.555 " H2'" ' OP2' ' Y' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.072 0 O4'-C1'-C2' 103.736 -2.149 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.464 ' H72' ' CE2' ' B' ' 9' ' ' TRP . . . . . . . . 0 C2'--C1' 1.508 -0.933 0 C3'-C2'-C1' 99.543 -2.255 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.601 ' C8 ' ' H71' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.86 0 O4'-C1'-C2' 103.641 -2.236 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.601 ' H71' ' C8 ' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.15 0 C3'-C2'-C1' 99.605 -2.211 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 10' ' ' ' DA' . . . . . 0.54 ' C8 ' H2'' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 99.654 -2.176 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 11' ' ' ' DT' . . . . . 0.417 H2'' ' OP2' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.505 -1.116 0 C3'-C2'-C1' 99.566 -2.238 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.763 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.134 0 C3'-C2'-C1' 99.251 -2.464 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.763 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.987 0 C3'-C2'-C1' 99.46 -2.315 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.17 0 C3'-C2'-C1' 99.217 -2.488 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.74 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.896 0 O4'-C1'-C2' 103.762 -2.125 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.882 -0.487 . . . . 10.0 111.882 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 56.7 mt -89.97 111.51 23.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.741 0.305 . . . . 10.0 110.619 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -77.13 101.43 6.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.102 0.477 . . . . 10.0 110.357 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 m -102.83 143.01 32.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.99 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.87 132.84 34.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.288 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.43 97.75 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.617 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -87.28 163.64 16.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.438 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -102.48 108.97 20.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.638 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -93.88 107.22 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.02 -68.77 3.03 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.564 -0.827 . . . . 10.0 111.18 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -153.8 -45.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.907 0.384 . . . . 10.0 110.25 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.557 ' OG ' ' H8 ' ' X' ' 4' ' ' ' DG' . 0.9 OUTLIER -85.02 134.17 41.7 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.422 179.616 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -62.37 147.8 94.33 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.39 2.06 . . . . 10.0 110.748 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.34 122.43 21.44 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.036 0.446 . . . . 10.0 111.836 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.9 t -87.85 116.99 30.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -77.64 139.97 39.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.009 0.433 . . . . 10.0 111.777 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.5 mt -118.19 124.73 28.41 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.73 147.23 95.77 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.451 2.101 . . . . 10.0 111.401 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.8 -30.05 56.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.538 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -40.14 84.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.635 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -72.85 -31.1 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 10.0 110.544 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -65.65 -39.72 91.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.111 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -75.69 -24.82 56.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.89 -46.61 23.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.589 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.9 mt -86.71 -5.1 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.848 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 t30 58.02 56.7 4.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.234 0.54 . . . . 10.0 111.3 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 pp -110.27 165.54 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.793 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -121.81 176.36 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.923 0.392 . . . . 10.0 111.492 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mm -82.03 137.24 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.095 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.91 18.4 10.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.685 -0.689 . . . . 10.0 112.151 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.488 ' CG ' ' HZ1' ' A' ' 49' ' ' LYS . 33.0 t0 -87.17 153.24 21.66 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.65 125.61 32.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.578 0.704 . . . . 10.0 112.802 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 m -110.69 145.27 17.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.422 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -92.44 96.27 10.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.911 0.386 . . . . 10.0 110.693 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.6 mt -85.61 126.17 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.143 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -130.09 148.53 51.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -104.64 94.3 5.23 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.2 t -104.54 109.71 28.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.28 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.24 44.09 19.33 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.121 0.785 . . . . 10.0 113.121 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.33 15.68 77.1 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.213 -0.518 . . . . 10.0 113.211 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -116.68 138.89 51.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.572 0.225 . . . . 10.0 110.584 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -79.51 103.0 9.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.097 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.6 mm -98.35 92.14 2.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.996 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -92.35 106.35 17.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.655 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -118.63 111.39 37.85 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.505 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -63.13 136.84 58.3 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.498 2.132 . . . . 10.0 111.222 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 t -77.02 94.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -50.55 120.32 4.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.226 -0.897 . . . . 10.0 112.184 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.488 ' HZ1' ' CG ' ' A' ' 31' ' ' ASP . 46.6 mmtm -91.5 96.91 10.75 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.463 -0.79 . . . . 10.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.415 -0.803 . . . . 10.0 110.219 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 112.302 -0.319 . . . . 10.0 112.302 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 29.5 mt -100.65 130.3 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -101.1 104.13 15.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.976 0.417 . . . . 10.0 111.273 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -113.6 153.14 29.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.442 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -89.35 137.73 32.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.665 0.269 . . . . 10.0 111.157 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 t -75.93 98.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 10.0 109.938 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -74.61 170.9 14.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.783 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -120.93 110.24 16.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.923 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -105.78 109.18 21.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.401 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.57 -60.45 4.74 Favored Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.587 -1.005 . . . . 10.0 110.587 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -168.9 -43.59 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.97 135.87 70.23 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.293 -0.867 . . . . 10.0 110.6 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -64.95 144.82 84.04 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.45 2.1 . . . . 10.0 111.167 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.68 140.8 33.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.882 0.373 . . . . 10.0 111.345 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 88.3 t -94.86 127.66 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . 0.462 ' NH1' H2'' ' X' ' 4' ' ' ' DG' . 11.6 mmt85 -78.55 126.57 30.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.722 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 72.5 mt -122.46 130.73 24.55 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.899 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.43 137.27 68.85 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.514 2.143 . . . . 10.0 111.511 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.86 -29.88 70.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.084 0.469 . . . . 10.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -34.1 77.34 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.423 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -32.85 67.03 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.021 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 68.3 mmm -62.06 -42.15 98.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.95 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -69.05 -27.48 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.612 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.39 -31.98 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.04 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.4 mt -92.8 -6.3 49.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.034 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 57.8 t30 71.27 63.01 0.16 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.357 -0.838 . . . . 10.0 113.255 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.91 157.34 31.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.29 -166.78 1.67 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.882 0.372 . . . . 10.0 111.703 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -71.9 150.81 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.858 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.6 t70 74.62 6.22 4.49 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.267 0.627 . . . . 10.0 112.551 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -81.84 159.17 23.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -102.49 131.15 49.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.34 0.59 . . . . 10.0 111.516 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.9 m -113.82 138.71 42.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -88.09 98.47 11.56 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 mt -77.9 98.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.76 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -96.68 165.46 12.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.447 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 tp -133.5 99.11 4.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.32 100.89 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.205 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 56.59 61.78 2.54 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.819 0.699 . . . . 10.0 111.579 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.62 45.63 93.03 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.965 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -143.72 129.66 19.5 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.3 mt -76.93 105.72 8.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.37 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 25.2 mm -102.57 94.08 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.015 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -87.19 110.63 20.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.025 0.44 . . . . 10.0 110.599 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.81 106.21 44.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.619 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -66.7 144.68 72.84 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.58 2.187 . . . . 10.0 111.51 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.01 104.11 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.922 0.392 . . . . 10.0 110.563 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -53.74 124.43 15.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.635 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -87.65 70.52 9.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.807 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.55 -0.738 . . . . 10.0 109.927 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' ' DC' . . . . . 0.732 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.03 0 C3'-C2'-C1' 99.667 -2.167 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' ' DG' . . . . . 0.58 ' C8 ' ' H72' ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.129 0 C3'-C2'-C1' 99.289 -2.437 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' ' DT' . . . . . 0.882 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.07 0 C3'-C2'-C1' 98.594 -2.933 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' ' DG' . . . . . 0.882 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.137 0 C3'-C2'-C1' 99.34 -2.4 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' ' DA' . . . . . 0.521 ' OP2' H2'' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.925 0 O4'-C1'-C2' 103.609 -2.265 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' ' DT' . . . . . 0.402 ' OP2' H2'' ' X' ' 5' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.91 0 C3'-C2'-C1' 99.59 -2.221 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.906 0 C3'-C2'-C1' 99.678 -2.159 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' ' DT' . . . . . 0.577 H2'' ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.148 0 C3'-C2'-C1' 99.479 -2.301 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' ' DA' . . . . . 0.629 ' OP2' " H2'" ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.925 0 C3'-C2'-C1' 99.587 -2.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.108 0 C3'-C2'-C1' 99.569 -2.236 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' ' DA' . . . . . 0.567 H2'' ' OP2' ' X' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 O4'-C1'-C2' 103.788 -2.102 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' ' DG' . . . . . 0.567 ' OP2' H2'' ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.027 0 C3'-C2'-C1' 99.195 -2.504 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 13' ' ' ' DT' . . . . . 0.615 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.026 0 C3'-C2'-C1' 99.249 -2.465 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 14' ' ' ' DG' . . . . . 0.615 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.014 0 C3'-C2'-C1' 99.632 -2.192 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-C1' 99.587 -2.223 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.669 ' OP2' ' H8 ' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 99.563 -2.241 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.653 ' C5 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 O4'-C1'-C2' 103.714 -2.169 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.574 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.988 0 O4'-C1'-C2' 103.638 -2.239 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.716 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.058 0 O4'-C1'-C2' 103.694 -2.187 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.716 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.902 0 C3'-C2'-C1' 99.406 -2.353 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.469 ' OP2' H2'' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.052 0 O4'-C1'-C2' 103.641 -2.235 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.475 H2'' ' OP2' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-C1' 99.61 -2.207 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.475 ' OP2' H2'' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.025 0 O4'-C1'-C2' 103.701 -2.181 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.521 H2'' ' C8 ' ' Y' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 C3'-C2'-C1' 99.743 -2.112 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 10' ' ' ' DA' . . . . . 0.591 ' OP2' " H2'" ' Y' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.689 -2.151 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.991 0 C3'-C2'-C1' 99.558 -2.244 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.831 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.208 0 C3'-C2'-C1' 98.946 -2.681 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.831 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.949 0 C3'-C2'-C1' 99.321 -2.413 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.062 0 C3'-C2'-C1' 99.33 -2.407 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.732 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.015 0 O4'-C1'-C2' 103.67 -2.209 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.81 0.338 . . . . 10.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.0 p -122.72 146.29 47.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.95 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.47 115.09 25.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.65 91.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.561 ' HB2' ' HH2' ' B' ' 9' ' ' TRP . 72.2 mmtt -81.86 -179.44 7.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.852 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -101.11 108.04 19.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.114 0.483 . . . . 10.0 112.01 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -83.6 87.75 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.63 -92.76 1.22 Allowed Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 109.733 -1.347 . . . . 10.0 109.733 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -126.43 -11.6 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.603 0.24 . . . . 10.0 110.952 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 m -112.92 142.73 27.77 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.62 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 58.6 Cg_endo -74.5 149.56 39.41 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.595 2.197 . . . . 10.0 111.267 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.02 133.21 23.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.01 0.433 . . . . 10.0 111.978 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.1 t -82.95 108.08 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 16' ' ' ARG . 36.3 ttm180 -65.31 121.88 15.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.435 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -109.08 105.28 56.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.773 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -55.37 145.42 67.55 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 122.761 2.307 . . . . 10.0 112.397 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -26.92 63.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.649 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.1 m -60.86 -37.16 81.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.998 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.81 -31.2 56.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.519 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 9.3 mtm -60.89 -48.36 82.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.996 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -65.54 -32.44 74.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.176 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -56.56 20.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.088 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.651 ' HB2' HD23 ' A' ' 27' ' ' LEU . 94.0 mt -87.89 1.67 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.741 0.305 . . . . 10.0 111.633 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 62.45 44.07 7.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.69 0.757 . . . . 10.0 111.787 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -110.58 161.79 15.37 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 179.058 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -137.95 -172.25 3.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.837 0.351 . . . . 10.0 111.564 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.515 HG21 ' HB2' ' B' ' 8' ' ' ARG . 7.4 mm -75.58 154.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 67.44 29.14 7.47 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -100.59 172.71 6.93 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.874 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -113.54 126.45 55.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.319 0.58 . . . . 10.0 111.397 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 46' ' ' PRO . 25.5 m -119.52 139.9 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HB3' ' HG3' ' A' ' 45' ' ' GLU . 24.6 ttmt -85.07 107.5 17.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.636 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.5 mt -83.64 96.41 4.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.574 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 3.0 t70 -101.21 159.05 15.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.936 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.607 HD21 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -115.78 93.72 4.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.1 t -125.9 133.66 68.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.304 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.25 23.56 13.13 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.771 -0.649 . . . . 10.0 111.728 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.21 17.97 76.28 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.836 -0.697 . . . . 10.0 111.686 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.584 ' HD3' ' HB3' ' B' ' 45' ' ' GLU . 80.4 mttt -123.53 168.24 12.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.764 0.316 . . . . 10.0 110.464 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.746 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 77.6 mt -90.88 114.26 26.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.145 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 36' ' ' ASP . 46.5 mm -92.6 106.3 17.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 48.7 mm -105.28 108.14 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.062 0.458 . . . . 10.0 111.009 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 3.7 pt-20 -125.62 128.5 24.62 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.848 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 12.5 Cg_exo -72.1 116.18 4.61 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.018 2.479 . . . . 10.0 111.51 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.651 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.906 0.384 . . . . 10.0 111.607 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.8 t -90.14 114.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -100.75 174.37 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.66 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.515 ' HB2' HG21 ' A' ' 29' ' ' ILE . 2.9 ttm180 -87.98 133.78 33.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.207 0.527 . . . . 10.0 112.108 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.561 ' HH2' ' HB2' ' A' ' 7' ' ' LYS . 6.9 t90 -106.92 83.71 1.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.299 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.44 -71.26 2.52 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.827 -0.701 . . . . 10.0 111.367 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -132.85 -50.68 0.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.035 0.445 . . . . 10.0 110.531 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 1.3 m -95.0 148.79 35.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.151 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.519 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 61.4 Cg_endo -73.38 159.57 46.41 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.538 2.158 . . . . 10.0 112.064 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -146.27 133.63 20.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.528 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.8 t -81.71 107.04 13.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.114 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -68.57 114.99 7.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.9 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 50.1 mm -104.61 122.14 44.64 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.061 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -51.22 127.06 20.79 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.549 2.166 . . . . 10.0 111.527 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.45 -29.66 61.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -33.24 75.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.953 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.12 -30.12 34.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.779 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.569 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 64.3 mmm -60.63 -35.92 77.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.415 0.626 . . . . 10.0 110.44 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.65 -27.97 64.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.657 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.87 -37.27 70.23 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.88 0.371 . . . . 10.0 111.03 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 37' ' ' LEU . 86.7 mt -83.32 -7.78 59.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.693 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 t30 63.72 56.52 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.338 -0.846 . . . . 10.0 112.721 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.409 HD23 ' O ' ' B' ' 22' ' ' MET . 1.5 pt? -138.93 170.5 15.88 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -139.94 -164.14 1.64 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.779 0.323 . . . . 10.0 111.762 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -74.53 146.4 9.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 78.29 9.93 2.04 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.929 0.768 . . . . 10.0 111.719 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -71.15 143.47 50.54 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -98.32 99.12 10.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.289 0.566 . . . . 10.0 111.412 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' B' ' 46' ' ' PRO . 15.7 m -89.32 134.09 29.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.354 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -89.87 109.77 20.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.684 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.85 106.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -117.43 140.49 49.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.454 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' B' ' 37' ' ' LEU . 3.7 mm? -83.44 106.48 15.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.176 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.568 ' HB ' HG13 ' B' ' 43' ' ' ILE . 61.3 t -133.64 130.68 56.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 59.09 24.22 12.51 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.02 18.89 79.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.63 -0.795 . . . . 10.0 112.811 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -130.92 166.89 19.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.546 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 88.8 mt -90.31 108.04 19.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.028 0.442 . . . . 10.0 111.629 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.568 HG13 ' HB ' ' B' ' 38' ' ' VAL . 44.7 mm -89.59 105.52 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.746 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 24.9 mm -97.05 100.21 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.317 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.584 ' HB3' ' HD3' ' A' ' 41' ' ' LYS . 4.3 pt-20 -112.99 119.96 41.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.163 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 23.5 Cg_exo -66.3 121.24 8.49 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.885 2.39 . . . . 10.0 111.318 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 67.0 t . . . . . 0 C--N 1.322 -0.615 0 CA-C-O 121.016 0.436 . . . . 10.0 110.993 -179.371 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.838 0.351 . . . . 10.0 110.966 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 m -99.02 143.42 29.32 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.269 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.13 123.79 29.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.83 96.7 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.001 0.429 . . . . 10.0 109.99 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.452 ' HB2' ' HH2' ' B' ' 9' ' ' TRP . 63.6 mmtt -85.37 -178.86 6.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.572 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -105.66 119.07 38.2 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 10.0 111.288 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -84.6 90.03 7.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.645 -1.243 . . . . 10.0 107.645 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.42 -90.33 0.83 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.555 -0.831 . . . . 10.0 111.298 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -128.34 -0.68 5.68 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.433 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.7 p -126.21 149.38 66.72 Favored Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 110.482 -0.192 . . . . 10.0 110.482 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.566 ' HG2' ' HG3' ' B' ' 22' ' ' MET . 22.8 Cg_exo -66.56 143.18 67.73 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.924 2.416 . . . . 10.0 112.697 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HB2' ' HG2' ' B' ' 16' ' ' ARG . . . -141.55 129.2 21.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.906 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.89 123.91 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.066 -0.516 . . . . 10.0 109.936 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.42 HH12 ' HB3' ' B' ' 9' ' ' TRP . 4.5 mmt180 -71.39 109.59 5.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.68 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.5 mt -119.88 103.56 45.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.11 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -53.92 147.42 42.42 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 123.263 2.642 . . . . 10.0 112.512 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.66 -22.95 66.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.442 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.5 -39.24 76.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.646 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.03 -34.85 59.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.671 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.8 mmm -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.433 -0.803 . . . . 10.0 110.643 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -68.75 -34.74 76.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.935 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.6 -35.49 75.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.243 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -92.14 -4.37 54.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.14 0.495 . . . . 10.0 111.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 66.0 61.76 0.62 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -142.64 141.79 31.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.934 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 4.3 t-20 -113.49 -168.7 1.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.294 -178.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.5 mm -68.49 146.23 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.249 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t0 72.3 18.07 4.73 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.652 0.595 . . . . 10.0 111.678 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 2.7 t70 -81.03 145.85 30.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.215 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -90.21 124.96 35.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.423 0.63 . . . . 10.0 111.165 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.6 m -118.37 136.44 55.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.326 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HE2' ' HB3' ' A' ' 45' ' ' GLU . 20.5 ttpt -89.13 105.6 17.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.67 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.4 mt -83.91 97.41 4.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.46 157.23 16.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.293 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.2 tp -116.99 105.08 11.93 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -126.31 125.51 67.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.971 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t0 58.28 33.71 23.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.131 0.491 . . . . 10.0 111.946 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.24 21.29 73.88 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.373 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HD2' ' HG3' ' B' ' 45' ' ' GLU . 0.1 OUTLIER -119.9 147.32 44.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.656 0.265 . . . . 10.0 110.528 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.448 HD13 HD13 ' B' ' 17' ' ' ILE . 68.9 mt -80.97 110.55 16.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.178 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.7 mm -102.04 97.45 5.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.192 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.805 HD13 HD13 ' B' ' 44' ' ' ILE . 3.6 mp -90.3 99.4 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 16.2 tt0 -107.74 109.14 62.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.205 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.61 145.14 41.24 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.197 1.931 . . . . 10.0 111.651 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.503 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 6.1 p . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.062 0.458 . . . . 10.0 112.114 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.507 HG22 HG22 ' B' ' 15' ' ' VAL . 12.2 t -81.77 107.35 13.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.403 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.0 mmtt -95.72 170.95 8.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.07 0.462 . . . . 10.0 111.307 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' B' ' 8' ' ' ARG . 5.5 ttt180 -90.17 112.67 24.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.729 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.452 ' HH2' ' HB2' ' A' ' 7' ' ' LYS . 5.1 t90 -92.64 82.6 4.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.941 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.12 -80.26 1.4 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.311 -0.716 . . . . 10.0 111.311 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -111.05 -71.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.135 0.493 . . . . 10.0 110.031 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -88.62 156.93 50.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.469 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.54 173.04 12.26 Favored 'Trans proline' 0 C--O 1.238 0.497 0 C-N-CA 122.714 2.276 . . . . 10.0 113.331 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.34 152.36 10.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.2 -0.909 . . . . 10.0 109.601 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.507 HG22 HG22 ' B' ' 6' ' ' VAL . 91.2 t -106.9 120.2 57.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.751 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.457 ' HG2' ' HB2' ' A' ' 14' ' ' ALA . 79.5 mtm-85 -83.91 133.27 34.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.205 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.448 HD13 HD13 ' A' ' 42' ' ' LEU . 89.7 mt -126.74 124.14 24.02 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.662 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -42.1 134.42 4.25 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.797 2.998 . . . . 10.0 113.236 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.75 -27.38 59.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.419 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' THR . . . . . 0.439 ' HA ' ' OE1' ' B' ' 23' ' ' GLN . 5.2 p -59.71 -37.76 79.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.208 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' B' ' 21' ' ' LEU . 3.6 mm? -71.3 -34.53 70.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.533 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.566 ' HG3' ' HG2' ' A' ' 13' ' ' PRO . 35.9 mmm -63.88 -39.85 95.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.091 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.439 ' OE1' ' HA ' ' B' ' 20' ' ' THR . 53.4 mt-30 -67.91 -33.13 74.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.668 -0.697 . . . . 10.0 110.626 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.7 -34.41 60.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 mt -86.29 -10.88 53.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.779 0.659 . . . . 10.0 112.779 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 61.9 t30 73.39 63.93 0.09 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.383 0.611 . . . . 10.0 112.536 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -152.81 160.08 43.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.55 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 2.3 t-20 -134.65 -166.76 1.86 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.799 -0.361 . . . . 10.0 111.509 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.8 mm -69.29 140.29 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.691 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 75.77 19.24 2.01 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.843 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 0.3 OUTLIER -83.26 131.79 35.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.149 178.606 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.436 ' H ' ' HG3' ' B' ' 32' ' ' GLU . 0.0 OUTLIER -84.4 119.04 24.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.109 0.48 . . . . 10.0 110.488 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' B' ' 46' ' ' PRO . 21.6 m -106.66 143.94 16.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.7 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.485 ' HE3' ' HB3' ' B' ' 34' ' ' LYS . 11.1 ttpp -89.21 101.23 13.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.543 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -77.76 101.12 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.51 136.34 47.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.573 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 tp -101.31 91.04 4.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.043 0.449 . . . . 10.0 109.946 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.529 ' HB ' HG13 ' B' ' 43' ' ' ILE . 89.9 t -100.95 122.78 53.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.527 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 60.55 26.36 16.03 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.842 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.34 17.5 77.8 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.461 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.05 148.99 41.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.735 0.303 . . . . 10.0 110.87 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -81.08 100.4 9.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.738 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.529 HG13 ' HB ' ' B' ' 38' ' ' VAL . 20.6 mm -99.74 102.56 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.844 -0.617 . . . . 10.0 109.374 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.805 HD13 HD13 ' A' ' 44' ' ' ILE . 1.9 mp -88.9 107.99 18.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.263 0.554 . . . . 10.0 110.507 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.436 ' HG3' ' HD2' ' A' ' 41' ' ' LYS . 20.3 tt0 -110.46 105.08 56.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.121 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.446 ' HA ' HG12 ' B' ' 33' ' ' VAL . 55.7 Cg_endo -71.4 142.69 41.42 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.252 1.968 . . . . 10.0 111.445 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--N 1.325 -0.5 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.251 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.3 m -138.54 143.15 39.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.723 0.297 . . . . 10.0 111.521 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.83 125.6 39.6 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.883 0.373 . . . . 10.0 111.263 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -77.46 112.41 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.44 . . . . 10.0 109.876 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -91.05 177.22 6.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.83 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -100.28 116.74 32.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.836 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.656 ' HH2' ' HB2' ' B' ' 7' ' ' LYS . 4.6 t90 -90.9 84.93 5.85 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.34 -65.88 3.56 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -144.47 -41.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.2 0.524 . . . . 10.0 109.926 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -91.36 136.57 26.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.224 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 36.1 Cg_endo -64.99 152.2 83.21 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.651 2.234 . . . . 10.0 112.063 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.95 139.55 30.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.126 0.489 . . . . 10.0 111.881 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.9 t -94.56 111.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.011 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -66.3 127.29 31.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.426 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.0 mm -105.96 121.9 44.2 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.074 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.58 124.88 17.36 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.57 2.18 . . . . 10.0 112.075 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.79 -30.32 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.329 0.585 . . . . 10.0 110.531 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -40.8 89.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.414 -0.812 . . . . 10.0 109.801 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.2 -32.21 66.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.417 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.0 mmm -59.24 -44.39 92.35 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.557 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -69.51 -32.56 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.452 -0.795 . . . . 10.0 110.717 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.94 45.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.12 -16.99 63.19 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.4 t30 74.19 60.42 0.08 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.53 162.1 36.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.933 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -126.02 176.08 7.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.565 0.221 . . . . 10.0 110.806 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.7 146.33 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.265 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.53 20.53 3.1 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.023 0.529 . . . . 10.0 112.185 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.57 ' O ' ' HA ' ' B' ' 5' ' ' SER . 19.5 t70 -76.93 139.14 40.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.72 100.9 12.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.006 0.432 . . . . 10.0 111.493 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 46' ' ' PRO . 27.4 m -94.64 138.05 21.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.101 0.477 . . . . 10.0 110.435 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HE3' ' HB3' ' A' ' 34' ' ' LYS . 15.3 ttpp -91.45 95.17 9.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mt -70.99 109.27 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.97 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.85 147.97 33.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.541 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.493 HD11 HD21 ' B' ' 25' ' ' LEU . 0.6 OUTLIER -105.29 100.19 9.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.511 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.7 t -122.8 120.82 61.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.565 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.38 23.37 13.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.92 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.29 18.04 78.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.803 -0.713 . . . . 10.0 111.603 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.572 ' HD3' ' HG2' ' B' ' 45' ' ' GLU . 73.6 mttt -117.32 150.4 38.88 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.804 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 81.7 mt -87.28 107.95 18.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.526 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.424 HG22 ' HG3' ' A' ' 45' ' ' GLU . 21.4 mm -93.46 107.32 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.64 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.666 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 45.9 mm -93.73 102.41 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.358 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.552 ' HG2' ' HD2' ' B' ' 41' ' ' LYS . 48.9 mt-10 -117.45 111.61 39.81 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.386 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.436 ' HA ' HG12 ' A' ' 33' ' ' VAL . 37.9 Cg_endo -66.3 128.42 19.36 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.821 2.347 . . . . 10.0 112.28 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 t . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.297 0.57 . . . . 10.0 109.741 179.644 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.57 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.236 0.347 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.471 HG22 HG22 ' B' ' 15' ' ' VAL . 44.4 t -77.31 102.16 3.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.656 ' HB2' ' HH2' ' A' ' 9' ' ' TRP . 71.9 mmtt -84.51 172.82 11.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.407 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.502 ' HA ' ' HA ' ' B' ' 13' ' ' PRO . 60.6 ttt180 -98.44 117.75 33.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.176 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -90.3 81.24 6.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.154 0.502 . . . . 10.0 110.931 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 -65.95 2.98 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.244 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -126.86 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.645 0.259 . . . . 10.0 110.472 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 42.0 m -87.66 149.27 45.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.423 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.502 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 49.1 Cg_endo -69.95 155.86 64.28 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.624 2.216 . . . . 10.0 111.756 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.14 136.13 17.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.872 0.368 . . . . 10.0 111.046 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.471 HG22 HG22 ' B' ' 6' ' ' VAL . 56.9 t -86.14 113.77 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.431 ' HD2' HH11 ' B' ' 16' ' ' ARG . 27.4 ttm180 -72.99 120.0 18.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.638 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 47.2 mm -107.24 112.31 62.91 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -53.44 140.96 63.1 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.678 2.252 . . . . 10.0 111.784 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.64 -23.0 64.43 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.972 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -43.26 99.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.309 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' B' ' 21' ' ' LEU . 3.5 mm? -75.35 -32.4 60.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.915 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.415 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 74.8 mmm -59.53 -35.92 75.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.78 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -82.75 -6.71 59.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.778 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.3 -34.68 16.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.11 0.481 . . . . 10.0 110.361 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.493 HD21 HD11 ' A' ' 37' ' ' LEU . 80.8 mt -94.21 -14.71 25.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.244 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 62.5 t30 70.16 59.88 0.25 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.364 -0.835 . . . . 10.0 112.798 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -129.28 150.83 50.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.284 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 49.8 m-80 -113.5 -172.05 2.0 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -76.61 140.82 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.198 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 75.37 9.89 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.775 0.672 . . . . 10.0 111.737 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 0.6 OUTLIER -67.61 124.9 24.54 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.821 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -82.04 98.0 8.41 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.319 0.581 . . . . 10.0 111.991 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' B' ' 46' ' ' PRO . 22.7 m -90.48 164.15 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -105.26 120.55 41.82 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.441 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.3 mt -104.49 108.74 25.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -119.82 153.76 35.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.829 0.347 . . . . 10.0 110.761 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' B' ' 37' ' ' LEU . 3.9 mm? -98.56 97.15 8.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.489 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.781 ' HB ' HG13 ' B' ' 43' ' ' ILE . 41.8 t -123.56 135.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.04 -0.527 . . . . 10.0 109.932 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.472 ' HB3' ' HE2' ' B' ' 41' ' ' LYS . 7.4 t70 64.89 13.35 8.49 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.647 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.75 25.49 56.1 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.584 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.552 ' HD2' ' HG2' ' A' ' 45' ' ' GLU . 4.6 pttt -143.45 169.36 17.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.685 -0.303 . . . . 10.0 110.854 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.666 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 96.7 mt -82.76 111.42 18.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.409 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.781 HG13 ' HB ' ' B' ' 38' ' ' VAL . 32.8 mm -101.41 105.34 17.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.804 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 35.1 mm -89.79 100.42 10.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.925 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.572 ' HG2' ' HD3' ' A' ' 41' ' ' LYS . 43.8 mt-10 -103.32 114.5 64.94 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.613 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.54 ' HA ' HG12 ' B' ' 33' ' ' VAL . 38.4 Cg_endo -66.96 131.83 26.55 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.738 2.292 . . . . 10.0 112.043 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 120.919 0.39 . . . . 10.0 110.11 179.844 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 121.155 0.503 . . . . 10.0 111.541 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.0 m -149.27 163.98 36.14 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.55 136.47 54.89 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.731 0.3 . . . . 10.0 111.295 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.488 HG12 ' HB2' ' A' ' 13' ' ' PRO . 13.9 t -78.74 101.57 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -91.59 162.78 14.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.109 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 7.8 ttm180 -83.3 125.45 31.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.269 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -104.32 84.21 2.18 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.54 -62.34 4.35 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -138.98 -65.09 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.393 . . . . 10.0 110.06 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -80.46 143.85 56.22 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.396 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HB2' HG12 ' A' ' 6' ' ' VAL . 56.1 Cg_endo -71.38 153.73 61.12 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.496 2.13 . . . . 10.0 111.376 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.43 145.68 31.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.211 0.529 . . . . 10.0 112.094 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 6' ' ' VAL . 48.0 t -98.5 123.07 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.357 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 16' ' ' ARG . 51.5 mtt180 -82.34 128.06 33.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.952 0.406 . . . . 10.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.7 mm -120.79 100.58 46.31 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.411 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.487 ' HD2' HD23 ' A' ' 21' ' ' LEU . 50.9 Cg_exo -55.18 159.48 9.93 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.791 2.327 . . . . 10.0 111.985 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.73 -28.76 16.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.584 0.957 . . . . 10.0 113.584 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -49.52 75.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.487 HD23 ' HD2' ' A' ' 18' ' ' PRO . 2.3 mm? -72.66 -32.29 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.27 -178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.591 ' HG3' ' HG2' ' B' ' 13' ' ' PRO . 92.9 mmm -61.92 -43.65 98.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.468 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -74.64 -24.86 58.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.796 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.54 -41.53 96.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.0 -12.3 28.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.914 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 69.74 51.52 0.45 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.037 0.836 . . . . 10.0 111.752 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -121.11 159.52 25.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.07 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -120.38 -166.68 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.083 0.468 . . . . 10.0 111.662 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 mm -78.03 149.7 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.45 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 69.19 18.89 8.08 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.241 0.616 . . . . 10.0 111.788 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' B' ' 5' ' ' SER . 7.1 t70 -73.93 145.47 44.69 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.8 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -93.02 98.03 11.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.288 0.566 . . . . 10.0 111.895 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 16.8 m -94.37 141.74 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.092 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 35.3 mtmt -97.51 121.43 39.4 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.6 mt -100.17 110.7 27.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.352 -0.385 . . . . 10.0 109.999 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -120.41 168.16 11.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.388 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD21 HD12 ' B' ' 21' ' ' LEU . 3.1 mm? -112.02 40.82 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.919 0.39 . . . . 10.0 111.768 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.775 ' HB ' HG13 ' A' ' 43' ' ' ILE . 25.1 t -69.01 131.31 33.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.384 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.69 ' HB3' ' HD3' ' A' ' 41' ' ' LYS . 9.2 t70 69.69 8.81 6.92 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.31 0.644 . . . . 10.0 112.204 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.87 24.69 54.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.862 -0.685 . . . . 10.0 113.299 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.69 ' HD3' ' HB3' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -136.43 170.86 15.36 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.665 -0.315 . . . . 10.0 110.307 179.165 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.93 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 85.9 mt -81.6 101.44 10.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.849 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.775 HG13 ' HB ' ' A' ' 38' ' ' VAL . 48.8 mm -87.6 107.56 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.899 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 18.5 mm -106.77 99.24 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.903 0.382 . . . . 10.0 111.015 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HG3' ' HE3' ' A' ' 34' ' ' LYS . 5.1 pt-20 -121.63 121.4 28.32 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.145 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . 93.8 Cg_endo -80.36 156.12 22.16 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.785 2.323 . . . . 10.0 111.833 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.0 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 19.8 m . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.971 0.415 . . . . 10.0 111.841 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 32.4 t -67.84 111.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.409 ' HG3' ' NH1' ' B' ' 16' ' ' ARG . 73.8 mmtt -98.46 -179.08 4.22 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.23 0.455 . . . . 10.0 112.23 -178.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -105.51 114.1 28.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 10.0 112.207 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -89.96 79.01 6.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.697 -1.223 . . . . 10.0 107.697 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.0 -55.58 4.8 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.52 -1.032 . . . . 10.0 110.52 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -152.13 -52.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' SER . . . . . 0.452 ' HA ' ' HD3' ' B' ' 13' ' ' PRO . 0.8 OUTLIER -69.93 139.77 88.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.252 -0.886 . . . . 10.0 112.037 -179.363 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.591 ' HG2' ' HG3' ' A' ' 22' ' ' MET . 27.2 Cg_exo -66.07 133.28 32.7 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 123.052 2.502 . . . . 10.0 110.366 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.37 132.6 47.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.011 0.434 . . . . 10.0 111.895 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 38.9 t -93.68 113.06 27.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.522 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 16' ' ' ARG . 66.6 mtt180 -69.89 122.68 19.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.538 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 42.4 mm -106.83 118.55 53.93 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -50.52 124.27 12.96 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.907 2.405 . . . . 10.0 112.01 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.95 -30.48 66.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.966 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -40.33 86.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.761 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.426 HD12 HD21 ' A' ' 37' ' ' LEU . 3.7 mm? -71.84 -27.9 63.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.175 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.6 mmm -62.59 -27.87 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.502 0.668 . . . . 10.0 109.733 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -82.4 -10.93 58.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.442 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.45 -38.33 26.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 10.0 110.437 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 74.3 mt -90.89 -8.03 50.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.22 0.533 . . . . 10.0 109.698 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 52.4 t30 64.27 60.45 0.96 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.713 -1.131 . . . . 10.0 113.165 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -131.55 148.93 52.66 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 2.7 t-20 -108.5 -173.32 2.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.811 0.339 . . . . 10.0 110.598 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mm -75.39 149.68 6.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 76.23 4.83 3.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.933 0.493 . . . . 10.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 0.2 OUTLIER -71.99 133.4 45.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.54 179.726 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -74.03 129.81 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.987 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 m -123.26 144.03 34.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.268 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.1 113.07 25.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.341 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 54.7 mt -93.43 102.29 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.416 ' HB3' HG23 ' B' ' 38' ' ' VAL . 0.4 OUTLIER -114.6 130.68 56.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.313 -179.457 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.33 75.6 6.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.157 -0.474 . . . . 10.0 109.829 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.554 ' HB ' HG13 ' B' ' 43' ' ' ILE . 58.7 t -109.2 134.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.08 -178.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 66.92 24.77 9.58 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.943 0.72 . . . . 10.0 112.943 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.57 18.1 79.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.839 -0.696 . . . . 10.0 113.243 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -137.68 165.14 27.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.757 0.279 . . . . 10.0 110.539 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.899 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 56.4 mt -85.45 108.5 17.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.162 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.554 HG13 ' HB ' ' B' ' 38' ' ' VAL . 36.0 mm -95.93 102.17 13.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.93 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 30.9 mm -96.58 110.64 25.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.2 0.524 . . . . 10.0 110.79 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.501 ' HG2' ' HE3' ' A' ' 41' ' ' LYS . 27.6 mt-10 -111.11 127.58 26.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 17.5 Cg_exo -67.95 127.89 16.83 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.765 2.31 . . . . 10.0 111.35 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.324 -0.541 0 CA-C-O 120.909 0.385 . . . . 10.0 111.087 -179.448 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 120.949 0.404 . . . . 10.0 110.786 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -121.9 142.93 49.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.503 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.12 138.65 31.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.504 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.5 t -94.29 131.24 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.884 0.373 . . . . 10.0 110.7 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -119.65 174.21 6.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.597 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 40.2 ttm105 -95.62 131.71 41.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.29 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.567 ' HB3' HH12 ' B' ' 16' ' ' ARG . 5.2 t90 -102.95 83.47 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.28 -83.33 1.61 Allowed Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.948 -0.861 . . . . 10.0 110.948 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -119.45 -52.55 2.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.425 . . . . 10.0 110.011 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -91.06 147.28 35.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.122 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.597 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 51.5 Cg_endo -68.45 167.89 21.19 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.703 2.269 . . . . 10.0 112.641 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.09 131.6 5.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.357 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.417 HG23 HD12 ' B' ' 17' ' ' ILE . 96.7 t -85.09 115.75 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.877 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -77.96 125.74 29.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.378 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.451 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 61.8 mt -119.73 125.33 27.48 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.149 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 17' ' ' ILE . 1.5 Cg_endo -46.59 132.3 16.23 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.668 2.912 . . . . 10.0 112.45 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.9 -30.89 66.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.661 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -33.66 76.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.691 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.29 -30.27 60.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.688 ' HG3' ' HG3' ' B' ' 13' ' ' PRO . 22.7 mmm -63.28 -36.96 85.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.425 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.58 -29.37 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -16.94 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.771 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 26.7 mt -103.92 -3.49 24.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.557 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.9 t30 65.79 9.95 6.43 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.536 0.939 . . . . 10.0 113.536 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -91.72 165.63 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.666 -0.414 . . . . 10.0 110.655 179.819 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -128.47 -172.47 2.71 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.692 0.282 . . . . 10.0 111.118 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' B' ' 8' ' ' ARG . 28.3 mm -75.79 147.27 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t70 76.83 3.28 3.39 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.626 0.579 . . . . 10.0 111.423 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.96 165.86 24.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.308 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -107.84 139.6 42.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.286 0.565 . . . . 10.0 111.139 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 46' ' ' PRO . 11.9 m -123.27 136.02 61.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.811 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -89.59 98.58 11.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.806 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.498 HG12 HG13 ' A' ' 44' ' ' ILE . 59.3 mt -77.94 111.73 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.127 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.23 126.57 52.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.292 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 tp -90.02 85.21 6.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.495 -0.558 . . . . 10.0 109.495 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t -109.62 128.49 65.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.142 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t0 61.94 20.47 11.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.811 -0.631 . . . . 10.0 112.543 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.95 12.48 82.59 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.818 -0.706 . . . . 10.0 112.534 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.36 150.58 37.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.984 0.421 . . . . 10.0 110.375 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.566 HD13 HD13 ' B' ' 17' ' ' ILE . 88.3 mt -82.17 97.79 8.39 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.307 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.9 mm -93.06 95.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.498 HG13 HG12 ' A' ' 35' ' ' ILE . 2.7 mp -86.21 108.72 17.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.522 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 30.4 tt0 -112.58 105.73 55.89 Favored Pre-proline 0 N--CA 1.451 -0.424 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.761 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.49 ' HA ' HG12 ' A' ' 33' ' ' VAL . 34.4 Cg_endo -65.03 145.08 84.4 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.648 2.232 . . . . 10.0 111.665 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 121.124 0.488 . . . . 10.0 109.844 179.781 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.839 0.352 . . . . 10.0 111.049 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 t -83.82 93.0 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -82.84 164.14 20.74 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.94 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.527 ' HB2' HG21 ' A' ' 29' ' ' ILE . 17.5 ttm180 -90.52 106.88 18.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.834 -179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -84.51 80.63 9.17 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.777 -1.194 . . . . 10.0 107.777 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.55 -58.61 4.87 Favored Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -159.18 -47.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 11.7 m -75.71 128.76 83.04 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.334 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.688 ' HG3' ' HG3' ' A' ' 22' ' ' MET . 56.4 Cg_endo -71.2 150.12 58.94 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.772 2.314 . . . . 10.0 112.173 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.73 137.66 38.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.623 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.438 HG11 HG12 ' A' ' 44' ' ' ILE . 44.0 t -80.0 125.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.406 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.567 HH12 ' HB3' ' A' ' 9' ' ' TRP . 6.4 mmt-85 -73.59 93.22 2.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.951 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.566 HD13 HD13 ' A' ' 42' ' ' LEU . 78.0 mt -107.21 111.97 63.11 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.944 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.583 ' HG2' HD23 ' B' ' 21' ' ' LEU . 19.3 Cg_endo -59.67 146.13 96.22 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.911 2.407 . . . . 10.0 111.968 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.88 -26.24 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.053 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -39.0 81.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.009 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.583 HD23 ' HG2' ' B' ' 18' ' ' PRO . 3.7 mm? -73.07 -35.11 66.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.468 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.8 mmm -62.11 -40.56 96.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.106 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -65.84 -33.29 75.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.704 . . . . 10.0 111.382 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.88 64.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.3 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 68.4 mt -93.7 -10.06 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.25 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 70.31 36.2 1.86 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.41 161.74 21.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -139.65 -165.14 1.82 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 mm -70.61 148.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.111 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 75.14 5.59 4.24 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -82.0 169.12 17.12 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -114.88 143.85 44.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.067 0.46 . . . . 10.0 110.455 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' B' ' 46' ' ' PRO . 16.4 m -124.37 139.38 50.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.826 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -92.63 92.15 7.87 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 50.3 mt -75.76 109.38 9.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.023 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -104.94 139.87 39.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.13 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 tp -101.67 85.82 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.272 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.5 t -91.57 111.24 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.817 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 63.03 12.16 5.71 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.847 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.02 5.92 54.41 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.728 -0.748 . . . . 10.0 112.208 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.39 147.43 23.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.648 0.261 . . . . 10.0 110.305 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 95.1 mt -83.2 93.18 7.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.419 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 18.4 mm -92.42 91.19 3.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.413 HD12 HD13 ' A' ' 44' ' ' ILE . 55.2 mt -84.37 95.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.107 0.479 . . . . 10.0 110.394 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -104.95 107.54 58.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.787 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' B' ' 33' ' ' VAL . 44.8 Cg_endo -67.73 157.27 62.53 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.75 2.3 . . . . 10.0 112.371 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 77.9 t . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.251 179.283 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 m170 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.181 0.515 . . . . 10.0 111.202 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.8 m -88.43 144.92 26.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.796 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -87.77 132.31 34.2 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 t -90.45 102.07 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.434 ' HB2' ' HH2' ' B' ' 9' ' ' TRP . 65.6 mmtt -104.03 173.79 6.15 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.441 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -102.32 119.27 38.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.949 0.404 . . . . 10.0 111.662 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -115.65 104.82 12.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.3 -73.9 2.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.745 -0.741 . . . . 10.0 111.701 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -147.72 -54.87 0.22 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.78 149.39 63.68 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.278 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.527 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 38.3 Cg_endo -68.53 150.43 75.17 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.631 2.221 . . . . 10.0 111.275 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.526 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -134.86 130.1 35.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.959 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.2 t -95.81 125.07 48.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.788 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -81.14 126.4 31.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.115 0.483 . . . . 10.0 111.378 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.3 mt -113.94 124.49 30.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.885 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.71 ' HG2' HD23 ' A' ' 21' ' ' LEU . 12.0 Cg_endo -55.45 140.4 82.73 Favored 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.784 2.323 . . . . 10.0 112.011 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.71 54.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.938 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -34.7 74.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.241 -0.436 . . . . 10.0 112.118 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.71 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.5 mm? -73.25 -31.61 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 10.0 110.806 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.444 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 57.0 mtm -65.53 -37.71 87.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.39 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -74.77 -15.93 60.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.31 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.72 -46.19 10.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.804 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.43 ' HB2' HD23 ' A' ' 27' ' ' LEU . 41.6 mt -88.84 -12.66 41.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.513 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.24 68.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.428 0.633 . . . . 10.0 111.727 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -127.83 148.25 50.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.056 178.503 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -111.59 177.28 4.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.951 0.405 . . . . 10.0 111.944 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mm -77.35 143.32 13.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.45 12.55 5.59 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.689 0.618 . . . . 10.0 111.62 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -79.29 164.56 24.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -106.25 128.39 53.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.312 0.577 . . . . 10.0 111.944 -179.302 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 m -113.31 140.04 35.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 23.0 ttpt -91.34 100.82 13.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.412 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.471 HG12 HG13 ' A' ' 44' ' ' ILE . 62.2 mt -82.7 113.53 22.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.681 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -112.38 163.22 14.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.061 -0.518 . . . . 10.0 109.703 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.431 HD11 HD21 ' B' ' 25' ' ' LEU . 17.5 tp -123.98 107.29 11.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.144 0.497 . . . . 10.0 110.554 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -127.93 125.45 64.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.313 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 62.97 21.23 12.77 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.614 0.721 . . . . 10.0 111.505 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.41 12.56 84.16 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.773 -0.727 . . . . 10.0 111.777 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.92 145.37 31.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 110.418 -0.215 . . . . 10.0 110.418 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.1 mt -80.01 103.37 9.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.229 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.8 mm -96.06 92.93 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.087 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.87 HD13 HD13 ' B' ' 44' ' ' ILE . 3.5 mp -88.47 100.72 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.298 0.57 . . . . 10.0 109.783 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 33.5 tt0 -105.85 111.6 64.54 Favored Pre-proline 0 N--CA 1.448 -0.554 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.359 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.54 129.67 18.25 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.599 2.199 . . . . 10.0 111.173 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 t . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 179.388 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.451 ' HB2' ' HE2' ' B' ' 7' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.425 0 CA-C-O 120.867 0.365 . . . . 10.0 111.145 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 11.3 t -78.96 78.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.451 ' HE2' ' HB2' ' B' ' 5' ' ' SER . 74.8 mmtt -69.78 155.72 40.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.837 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 8' ' ' ARG . 33.6 ttt180 -93.63 111.24 22.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.521 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' TRP . . . . . 0.434 ' HH2' ' HB2' ' A' ' 7' ' ' LYS . 3.7 t90 -83.82 74.74 10.16 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.73 -57.4 4.93 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.64 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -146.55 -49.28 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.872 0.367 . . . . 10.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.58 149.67 65.02 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.277 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.444 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 93.6 Cg_endo -80.12 146.88 18.26 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.627 2.218 . . . . 10.0 112.412 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.526 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -141.8 134.42 28.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.778 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -95.39 132.17 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.02 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -82.16 127.09 32.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.47 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 77.2 mt -122.39 119.04 28.57 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.528 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.23 137.2 70.46 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.951 2.434 . . . . 10.0 112.421 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.27 -31.7 70.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.473 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -28.18 68.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.887 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.91 -35.64 23.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.138 0.494 . . . . 10.0 110.114 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.527 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 36.1 mmm -61.27 -48.13 82.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.891 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -68.27 -21.02 64.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.498 -0.774 . . . . 10.0 111.069 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.71 -35.94 67.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.431 HD21 HD11 ' A' ' 37' ' ' LEU . 48.1 mt -90.48 -7.16 53.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.654 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 t30 74.62 16.7 3.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.218 1.192 . . . . 10.0 114.218 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' B' ' 46' ' ' PRO . 0.8 OUTLIER -94.39 153.39 17.99 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.687 -0.405 . . . . 10.0 109.932 178.709 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.74 -174.54 2.95 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 27.2 mm -72.63 150.18 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.6 t70 77.85 0.17 2.76 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.599 0.714 . . . . 10.0 111.445 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.76 165.25 25.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.906 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -110.43 131.39 55.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.802 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.464 ' HB ' HG23 ' B' ' 44' ' ' ILE . 8.0 m -111.51 131.54 62.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 10.0 111.266 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.489 ' HE3' ' HB3' ' B' ' 34' ' ' LYS . 22.5 ttpp -85.36 92.88 8.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.376 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.621 HG12 HG13 ' B' ' 44' ' ' ILE . 60.2 mt -78.84 118.21 25.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.03 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -122.82 144.65 49.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.344 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 25.6 tp -95.19 86.88 4.69 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.866 ' HB ' HG13 ' B' ' 43' ' ' ILE . 93.2 t -105.29 126.19 60.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.262 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 63.66 19.17 11.58 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.653 0.596 . . . . 10.0 111.307 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.17 15.66 79.93 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.164 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.36 157.08 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.784 0.326 . . . . 10.0 110.319 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 88.4 mt -81.31 98.33 8.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.681 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.866 HG13 ' HB ' ' B' ' 38' ' ' VAL . 29.5 mm -96.28 106.27 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.956 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.87 HD13 HD13 ' A' ' 44' ' ' ILE . 1.9 mp -93.36 110.56 23.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.918 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -114.32 101.48 54.17 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.179 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.449 ' HB3' HD13 ' B' ' 27' ' ' LEU . 44.4 Cg_endo -68.22 151.29 76.88 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.368 2.045 . . . . 10.0 111.959 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 121.038 0.447 . . . . 10.0 110.314 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.4 m170 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 121.102 0.477 . . . . 10.0 110.357 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 m -102.83 143.01 32.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.99 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.87 132.84 34.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.288 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.43 97.75 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.617 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -87.28 163.64 16.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.438 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 5.4 tmm_? -102.48 108.97 20.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.638 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -93.88 107.22 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.02 -68.77 3.03 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.564 -0.827 . . . . 10.0 111.18 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -153.8 -45.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.907 0.384 . . . . 10.0 110.25 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.02 134.17 41.7 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.422 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.495 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 19.7 Cg_endo -62.37 147.8 94.33 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.39 2.06 . . . . 10.0 110.748 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.34 122.43 21.44 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.036 0.446 . . . . 10.0 111.836 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.9 t -87.85 116.99 30.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -77.64 139.97 39.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.009 0.433 . . . . 10.0 111.777 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.5 mt -118.19 124.73 28.41 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.459 ' HG2' HD23 ' A' ' 21' ' ' LEU . 18.9 Cg_endo -61.73 147.23 95.77 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.451 2.101 . . . . 10.0 111.401 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.8 -30.05 56.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.538 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -40.14 84.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.635 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.459 HD23 ' HG2' ' A' ' 18' ' ' PRO . 2.4 mm? -72.85 -31.1 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 10.0 110.544 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -65.65 -39.72 91.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.111 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -75.69 -24.82 56.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.89 -46.61 23.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.589 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.555 ' HB2' HD23 ' A' ' 27' ' ' LEU . 89.9 mt -86.71 -5.1 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.848 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 t30 58.02 56.7 4.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.234 0.54 . . . . 10.0 111.3 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 25' ' ' LEU . 1.7 pp -110.27 165.54 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.793 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -121.81 176.36 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.923 0.392 . . . . 10.0 111.492 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mm -82.03 137.24 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.095 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.91 18.4 10.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.685 -0.689 . . . . 10.0 112.151 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' B' ' 5' ' ' SER . 33.0 t0 -87.17 153.24 21.66 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.498 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -83.65 125.61 32.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.578 0.704 . . . . 10.0 112.802 -178.776 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 46' ' ' PRO . 24.4 m -110.69 145.27 17.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.422 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -92.44 96.27 10.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.911 0.386 . . . . 10.0 110.693 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.6 mt -85.61 126.17 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.143 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -130.09 148.53 51.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.589 HD11 HD21 ' B' ' 25' ' ' LEU . 26.4 tp -104.64 94.3 5.23 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HB ' HG13 ' A' ' 43' ' ' ILE . 93.2 t -104.54 109.71 28.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.28 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.24 44.09 19.33 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.121 0.785 . . . . 10.0 113.121 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.33 15.68 77.1 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.213 -0.518 . . . . 10.0 113.211 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -116.68 138.89 51.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.572 0.225 . . . . 10.0 110.584 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -79.51 103.0 9.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.097 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.406 HG13 ' HB ' ' A' ' 38' ' ' VAL . 28.6 mm -98.35 92.14 2.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.996 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.822 HD13 HD13 ' B' ' 44' ' ' ILE . 4.4 mp -92.35 106.35 17.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.655 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.463 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 28.4 tt0 -118.63 111.39 37.85 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.505 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HA ' HG12 ' A' ' 33' ' ' VAL . 22.5 Cg_endo -63.13 136.84 58.3 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.498 2.132 . . . . 10.0 111.222 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 t . . . . . 0 C--N 1.323 -0.566 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 179.622 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 3.6 m . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.665 0.269 . . . . 10.0 111.157 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 t -75.93 98.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 10.0 109.938 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -74.61 170.9 14.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.783 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -120.93 110.24 16.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.923 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -105.78 109.18 21.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.401 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.57 -60.45 4.74 Favored Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.587 -1.005 . . . . 10.0 110.587 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -168.9 -43.59 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.97 135.87 70.23 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.293 -0.867 . . . . 10.0 110.6 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -64.95 144.82 84.04 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.45 2.1 . . . . 10.0 111.167 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.68 140.8 33.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.882 0.373 . . . . 10.0 111.345 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 88.3 t -94.86 127.66 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ARG . . . . . 0.406 ' HD2' HH11 ' B' ' 16' ' ' ARG . 11.6 mmt85 -78.55 126.57 30.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.722 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 72.5 mt -122.46 130.73 24.55 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.899 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' PRO . . . . . 0.763 ' HG2' ' HB2' ' B' ' 21' ' ' LEU . 19.1 Cg_endo -61.43 137.27 68.85 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.514 2.143 . . . . 10.0 111.511 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.86 -29.88 70.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.084 0.469 . . . . 10.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -34.1 77.34 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.423 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.763 ' HB2' ' HG2' ' B' ' 18' ' ' PRO . 0.3 OUTLIER -72.26 -32.85 67.03 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.021 179.312 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.495 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 68.3 mmm -62.06 -42.15 98.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.95 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -69.05 -27.48 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.612 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.39 -31.98 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.04 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.589 HD21 HD11 ' A' ' 37' ' ' LEU . 93.4 mt -92.8 -6.3 49.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.034 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 57.8 t30 71.27 63.01 0.16 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.357 -0.838 . . . . 10.0 113.255 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.637 HD13 ' HB3' ' B' ' 46' ' ' PRO . 0.8 OUTLIER -158.91 157.34 31.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.236 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.29 -166.78 1.67 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.882 0.372 . . . . 10.0 111.703 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -71.9 150.81 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.858 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.6 t70 74.62 6.22 4.49 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.267 0.627 . . . . 10.0 112.551 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -81.84 159.17 23.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -102.49 131.15 49.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.34 0.59 . . . . 10.0 111.516 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.9 m -113.82 138.71 42.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -88.09 98.47 11.56 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 mt -77.9 98.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.76 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.429 ' HB3' ' HB ' ' B' ' 43' ' ' ILE . 1.1 t0 -96.68 165.46 12.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.447 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 tp -133.5 99.11 4.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.32 100.89 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.205 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 56.59 61.78 2.54 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.819 0.699 . . . . 10.0 111.579 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.62 45.63 93.03 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.965 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -143.72 129.66 19.5 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.3 mt -76.93 105.72 8.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.37 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' B' ' 36' ' ' ASP . 25.2 mm -102.57 94.08 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.015 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.822 HD13 HD13 ' A' ' 44' ' ' ILE . 2.3 mp -87.19 110.63 20.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.025 0.44 . . . . 10.0 110.599 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.81 106.21 44.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.619 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.637 ' HB3' HD13 ' B' ' 27' ' ' LEU . 36.8 Cg_endo -66.7 144.68 72.84 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.58 2.187 . . . . 10.0 111.51 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 C--N 1.323 -0.547 0 CA-C-O 120.922 0.392 . . . . 10.0 110.563 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 CA-C-O 120.966 0.203 . . . . 10.0 112.677 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mp -120.3 123.64 70.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -87.0 130.74 34.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.81 0.338 . . . . 10.0 110.339 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.0 p -122.72 146.29 47.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.95 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.47 115.09 25.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.65 91.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.561 ' HB2' ' HH2' ' B' ' 9' ' ' TRP . 72.2 mmtt -81.86 -179.44 7.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.852 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -101.11 108.04 19.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.114 0.483 . . . . 10.0 112.01 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -83.6 87.75 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.63 -92.76 1.22 Allowed Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 109.733 -1.347 . . . . 10.0 109.733 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.612 ' HB2' ' N7 ' ' X' ' 5' ' ' ' DA' . 81.4 m-20 -126.43 -11.6 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.603 0.24 . . . . 10.0 110.952 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.887 ' HG ' ' H8 ' ' X' ' 5' ' ' ' DA' . 27.2 m -112.92 142.73 27.77 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.62 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 58.6 Cg_endo -74.5 149.56 39.41 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.595 2.197 . . . . 10.0 111.267 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.02 133.21 23.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.01 0.433 . . . . 10.0 111.978 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.1 t -82.95 108.08 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 16' ' ' ARG . 36.3 ttm180 -65.31 121.88 15.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.435 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -109.08 105.28 56.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.773 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -55.37 145.42 67.55 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 122.761 2.307 . . . . 10.0 112.397 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -26.92 63.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.649 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.1 m -60.86 -37.16 81.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.998 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.81 -31.2 56.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.519 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 9.3 mtm -60.89 -48.36 82.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.996 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -65.54 -32.44 74.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.176 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -56.56 20.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.088 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.651 ' HB2' HD23 ' A' ' 27' ' ' LEU . 94.0 mt -87.89 1.67 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.741 0.305 . . . . 10.0 111.633 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 62.45 44.07 7.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.69 0.757 . . . . 10.0 111.787 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -110.58 161.79 15.37 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 179.058 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -137.95 -172.25 3.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.837 0.351 . . . . 10.0 111.564 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.515 HG21 ' HB2' ' B' ' 8' ' ' ARG . 7.4 mm -75.58 154.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 67.44 29.14 7.47 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -100.59 172.71 6.93 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.874 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -113.54 126.45 55.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.319 0.58 . . . . 10.0 111.397 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 46' ' ' PRO . 25.5 m -119.52 139.9 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HB3' ' HG3' ' A' ' 45' ' ' GLU . 24.6 ttmt -85.07 107.5 17.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.636 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.5 mt -83.64 96.41 4.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.574 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 3.0 t70 -101.21 159.05 15.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.936 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.607 HD21 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -115.78 93.72 4.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.1 t -125.9 133.66 68.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.304 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.25 23.56 13.13 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.771 -0.649 . . . . 10.0 111.728 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.21 17.97 76.28 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.836 -0.697 . . . . 10.0 111.686 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.584 ' HD3' ' HB3' ' B' ' 45' ' ' GLU . 80.4 mttt -123.53 168.24 12.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.764 0.316 . . . . 10.0 110.464 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.746 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 77.6 mt -90.88 114.26 26.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.145 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 36' ' ' ASP . 46.5 mm -92.6 106.3 17.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 48.7 mm -105.28 108.14 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.062 0.458 . . . . 10.0 111.009 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 3.7 pt-20 -125.62 128.5 24.62 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.848 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 12.5 Cg_exo -72.1 116.18 4.61 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.018 2.479 . . . . 10.0 111.51 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.4 t -112.9 86.9 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' A' ' 50' ' ' GLU . 13.6 ptp180 -59.17 142.47 51.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.488 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -100.74 68.54 1.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.548 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' A' ' 48' ' ' ARG . 26.2 mt-10 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.257 -0.878 . . . . 10.0 110.069 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 112.188 -0.365 . . . . 10.0 112.188 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 19.3 mt -72.07 134.57 29.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.853 0.359 . . . . 10.0 110.318 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -81.95 57.7 3.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.06 -0.518 . . . . 10.0 112.204 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 4.4 m -74.26 151.17 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.832 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -120.12 150.29 40.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.906 0.384 . . . . 10.0 111.607 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.8 t -90.14 114.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -100.75 174.37 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.66 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.515 ' HB2' HG21 ' A' ' 29' ' ' ILE . 2.9 ttm180 -87.98 133.78 33.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.207 0.527 . . . . 10.0 112.108 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.561 ' HH2' ' HB2' ' A' ' 7' ' ' LYS . 6.9 t90 -106.92 83.71 1.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.299 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.44 -71.26 2.52 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.827 -0.701 . . . . 10.0 111.367 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -132.85 -50.68 0.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.035 0.445 . . . . 10.0 110.531 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 1.3 m -95.0 148.79 35.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.151 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.519 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 61.4 Cg_endo -73.38 159.57 46.41 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.538 2.158 . . . . 10.0 112.064 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -146.27 133.63 20.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.528 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.8 t -81.71 107.04 13.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.114 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -68.57 114.99 7.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.9 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 50.1 mm -104.61 122.14 44.64 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.061 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -51.22 127.06 20.79 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.549 2.166 . . . . 10.0 111.527 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.45 -29.66 61.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -33.24 75.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.953 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.12 -30.12 34.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.779 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.569 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 64.3 mmm -60.63 -35.92 77.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.415 0.626 . . . . 10.0 110.44 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.65 -27.97 64.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.657 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.87 -37.27 70.23 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.88 0.371 . . . . 10.0 111.03 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 37' ' ' LEU . 86.7 mt -83.32 -7.78 59.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.693 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 t30 63.72 56.52 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.338 -0.846 . . . . 10.0 112.721 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.409 HD23 ' O ' ' B' ' 22' ' ' MET . 1.5 pt? -138.93 170.5 15.88 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -139.94 -164.14 1.64 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.779 0.323 . . . . 10.0 111.762 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -74.53 146.4 9.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 78.29 9.93 2.04 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.929 0.768 . . . . 10.0 111.719 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -71.15 143.47 50.54 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -98.32 99.12 10.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.289 0.566 . . . . 10.0 111.412 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' B' ' 46' ' ' PRO . 15.7 m -89.32 134.09 29.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.354 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -89.87 109.77 20.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.684 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.85 106.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -117.43 140.49 49.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.454 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' B' ' 37' ' ' LEU . 3.7 mm? -83.44 106.48 15.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.176 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.568 ' HB ' HG13 ' B' ' 43' ' ' ILE . 61.3 t -133.64 130.68 56.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 59.09 24.22 12.51 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.02 18.89 79.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.63 -0.795 . . . . 10.0 112.811 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -130.92 166.89 19.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.546 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 88.8 mt -90.31 108.04 19.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.028 0.442 . . . . 10.0 111.629 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.568 HG13 ' HB ' ' B' ' 38' ' ' VAL . 44.7 mm -89.59 105.52 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.746 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 24.9 mm -97.05 100.21 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.317 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.584 ' HB3' ' HD3' ' A' ' 41' ' ' LYS . 4.3 pt-20 -112.99 119.96 41.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.163 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 23.5 Cg_exo -66.3 121.24 8.49 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.885 2.39 . . . . 10.0 111.318 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 67.0 t -105.76 108.0 23.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.016 0.436 . . . . 10.0 110.993 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.514 ' HD3' ' OE2' ' B' ' 50' ' ' GLU . 12.1 ptp180 -69.57 145.48 52.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.068 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -104.22 81.83 1.88 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.091 0.472 . . . . 10.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.514 ' OE2' ' HD3' ' B' ' 48' ' ' ARG . 15.5 mt-10 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.163 -0.922 . . . . 10.0 109.595 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 1' ' ' ' DC' . . . . . 0.747 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 99.661 -2.171 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.979 0 C3'-C2'-C1' 99.353 -2.39 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 3' ' ' ' DT' . . . . . 0.84 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.036 0 C3'-C2'-C1' 99.096 -2.574 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 4' ' ' ' DG' . . . . . 0.84 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 C3'-C2'-C1' 99.384 -2.369 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 5' ' ' ' DA' . . . . . 0.887 ' H8 ' ' HG ' ' A' ' 12' ' ' SER . . . . . . . . 0 C2'--C1' 1.504 -1.206 0 C3'-C2'-C1' 99.234 -2.476 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 6' ' ' ' DT' . . . . . 0.766 ' OP2' H2'' ' X' ' 5' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.099 0 C3'-C2'-C1' 99.509 -2.279 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 7' ' ' ' DA' . . . . . 0.737 " H1'" " H5'" ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.046 0 O4'-C1'-C2' 103.706 -2.176 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 8' ' ' ' DT' . . . . . 0.737 " H5'" " H1'" ' X' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.063 0 C3'-C2'-C1' 99.49 -2.293 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 9' ' ' ' DA' . . . . . 0.561 ' OP2' H2'' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 103.73 -2.155 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.056 0 C3'-C2'-C1' 99.288 -2.437 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 11' ' ' ' DA' . . . . . 0.615 H2'' ' OP2' ' X' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.056 0 C3'-C2'-C1' 99.64 -2.186 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 12' ' ' ' DG' . . . . . 0.645 H2'' ' H71' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.037 0 C3'-C2'-C1' 99.406 -2.353 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 13' ' ' ' DT' . . . . . 0.723 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 99.586 -2.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 14' ' ' ' DG' . . . . . 0.723 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.062 0 O4'-C1'-C2' 103.756 -2.131 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 15' ' ' ' DC' . . . . . 0.614 ' C6 ' H2'' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-C1' 99.583 -2.227 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.779 H2'' ' C6 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.999 0 C3'-C2'-C1' 99.644 -2.183 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.779 ' C6 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.9 0 C3'-C2'-C1' 99.619 -2.2 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.522 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-C2' 103.741 -2.145 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.744 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.132 0 C3'-C2'-C1' 99.481 -2.299 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.744 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.505 -1.136 0 C3'-C2'-C1' 99.847 -2.038 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.439 ' OP2' H2'' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.132 0 C3'-C2'-C1' 99.497 -2.288 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.478 H2'' ' OP2' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.969 0 C3'-C2'-C1' 99.53 -2.265 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.481 H2'' ' OP2' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.953 0 C3'-C2'-C1' 99.416 -2.345 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.481 ' OP2' H2'' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.918 0 C3'-C2'-C1' 99.671 -2.163 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 O4'-C1'-C2' 103.781 -2.108 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Y' Y ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.01 0 C3'-C2'-C1' 99.376 -2.374 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.96 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.091 0 C3'-C2'-C1' 99.184 -2.512 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.96 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.046 0 C3'-C2'-C1' 99.628 -2.194 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 C3'-C2'-C1' 99.231 -2.478 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.747 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C3'-C2'-C1' 99.557 -2.245 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.663 -0.575 . . . . 10.0 111.663 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.2 mt -116.03 137.68 48.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -107.71 88.59 2.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 10.0 110.966 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 m -99.02 143.42 29.32 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.269 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.13 123.79 29.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.83 96.7 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.001 0.429 . . . . 10.0 109.99 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.573 ' HE3' ' OP2' ' Y' ' 6' ' ' ' DA' . 63.6 mmtt -85.37 -178.86 6.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.572 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -105.66 119.07 38.2 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 10.0 111.288 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.475 ' HD1' ' H62' ' X' ' 7' ' ' ' DA' . 3.6 t90 -84.6 90.03 7.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.645 -1.243 . . . . 10.0 107.645 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.499 ' HA2' ' O4 ' ' Y' ' 9' ' ' ' DT' . . . 75.42 -90.33 0.83 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.555 -0.831 . . . . 10.0 111.298 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.786 ' HB2' ' H62' ' X' ' 5' ' ' ' DA' . 44.0 m-20 -128.34 -0.68 5.68 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.433 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.7 p -126.21 149.38 66.72 Favored Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 110.482 -0.192 . . . . 10.0 110.482 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.566 ' HG2' ' HG3' ' B' ' 22' ' ' MET . 22.8 Cg_exo -66.56 143.18 67.73 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.924 2.416 . . . . 10.0 112.697 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HB2' ' HG2' ' B' ' 16' ' ' ARG . . . -141.55 129.2 21.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.906 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.89 123.91 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.066 -0.516 . . . . 10.0 109.936 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.42 HH12 ' HB3' ' B' ' 9' ' ' TRP . 4.5 mmt180 -71.39 109.59 5.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.68 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.5 mt -119.88 103.56 45.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.11 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -53.92 147.42 42.42 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 123.263 2.642 . . . . 10.0 112.512 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.66 -22.95 66.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.442 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.5 -39.24 76.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.646 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.03 -34.85 59.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.671 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.8 mmm -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.433 -0.803 . . . . 10.0 110.643 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -68.75 -34.74 76.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.935 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.6 -35.49 75.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.243 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -92.14 -4.37 54.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.14 0.495 . . . . 10.0 111.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 66.0 61.76 0.62 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -142.64 141.79 31.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.934 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 4.3 t-20 -113.49 -168.7 1.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.294 -178.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.5 mm -68.49 146.23 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.249 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t0 72.3 18.07 4.73 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.652 0.595 . . . . 10.0 111.678 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 2.7 t70 -81.03 145.85 30.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.215 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -90.21 124.96 35.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.423 0.63 . . . . 10.0 111.165 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.6 m -118.37 136.44 55.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.326 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HE2' ' HB3' ' A' ' 45' ' ' GLU . 20.5 ttpt -89.13 105.6 17.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.67 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.455 ' O ' ' HA3' ' B' ' 1' ' ' GLY . 54.4 mt -83.91 97.41 4.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.46 157.23 16.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.293 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.2 tp -116.99 105.08 11.93 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -126.31 125.51 67.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.971 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t0 58.28 33.71 23.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.131 0.491 . . . . 10.0 111.946 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.24 21.29 73.88 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.373 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HD2' ' HG3' ' B' ' 45' ' ' GLU . 0.1 OUTLIER -119.9 147.32 44.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.656 0.265 . . . . 10.0 110.528 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.448 HD13 HD13 ' B' ' 17' ' ' ILE . 68.9 mt -80.97 110.55 16.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.178 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.7 mm -102.04 97.45 5.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.192 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.805 HD13 HD13 ' B' ' 44' ' ' ILE . 3.6 mp -90.3 99.4 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 16.2 tt0 -107.74 109.14 62.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.205 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.61 145.14 41.24 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.197 1.931 . . . . 10.0 111.651 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.1 t -73.09 118.1 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.426 ' HD3' ' OE1' ' A' ' 50' ' ' GLU . 8.9 ptp180 -60.62 144.44 51.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.199 -0.455 . . . . 10.0 112.081 -178.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -105.53 42.3 1.26 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.431 0.634 . . . . 10.0 109.729 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' OE1' ' HD3' ' A' ' 48' ' ' ARG . 28.0 mt-10 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 115.179 -0.919 . . . . 10.0 110.214 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 112.025 -0.43 . . . . 10.0 112.025 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 25.2 pt -98.82 156.31 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.602 0.239 . . . . 10.0 110.489 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -107.84 105.15 14.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.738 0.304 . . . . 10.0 110.804 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -111.0 171.67 7.33 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 6.1 p -118.05 140.76 49.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.062 0.458 . . . . 10.0 112.114 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.507 HG22 HG22 ' B' ' 15' ' ' VAL . 12.2 t -81.77 107.35 13.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.403 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.0 mmtt -95.72 170.95 8.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.07 0.462 . . . . 10.0 111.307 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' B' ' 8' ' ' ARG . 5.5 ttt180 -90.17 112.67 24.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.729 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.452 ' HH2' ' HB2' ' A' ' 7' ' ' LYS . 5.1 t90 -92.64 82.6 4.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.941 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.12 -80.26 1.4 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.311 -0.716 . . . . 10.0 111.311 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.454 ' OD1' ' H5 ' ' Y' ' 4' ' ' ' DC' . 22.9 t-20 -111.05 -71.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.135 0.493 . . . . 10.0 110.031 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -88.62 156.93 50.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.469 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.54 173.04 12.26 Favored 'Trans proline' 0 C--O 1.238 0.497 0 C-N-CA 122.714 2.276 . . . . 10.0 113.331 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.34 152.36 10.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.2 -0.909 . . . . 10.0 109.601 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.507 HG22 HG22 ' B' ' 6' ' ' VAL . 91.2 t -106.9 120.2 57.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.751 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.474 ' NH2' " H2'" ' X' ' 6' ' ' ' DT' . 79.5 mtm-85 -83.91 133.27 34.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.205 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.448 HD13 HD13 ' A' ' 42' ' ' LEU . 89.7 mt -126.74 124.14 24.02 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.662 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.478 ' HA ' ' OP2' ' X' ' 5' ' ' ' DA' . 53.7 Cg_exo -42.1 134.42 4.25 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.797 2.998 . . . . 10.0 113.236 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.75 -27.38 59.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.419 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' THR . . . . . 0.439 ' HA ' ' OE1' ' B' ' 23' ' ' GLN . 5.2 p -59.71 -37.76 79.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.208 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' B' ' 21' ' ' LEU . 3.6 mm? -71.3 -34.53 70.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.533 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.566 ' HG3' ' HG2' ' A' ' 13' ' ' PRO . 35.9 mmm -63.88 -39.85 95.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.091 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.439 ' OE1' ' HA ' ' B' ' 20' ' ' THR . 53.4 mt-30 -67.91 -33.13 74.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.668 -0.697 . . . . 10.0 110.626 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.7 -34.41 60.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 mt -86.29 -10.88 53.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.779 0.659 . . . . 10.0 112.779 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 61.9 t30 73.39 63.93 0.09 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.383 0.611 . . . . 10.0 112.536 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -152.81 160.08 43.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.55 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 2.3 t-20 -134.65 -166.76 1.86 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.799 -0.361 . . . . 10.0 111.509 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.8 mm -69.29 140.29 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.691 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 75.77 19.24 2.01 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.843 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 0.3 OUTLIER -83.26 131.79 35.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.149 178.606 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.436 ' H ' ' HG3' ' B' ' 32' ' ' GLU . 0.0 OUTLIER -84.4 119.04 24.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.109 0.48 . . . . 10.0 110.488 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' B' ' 46' ' ' PRO . 21.6 m -106.66 143.94 16.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.7 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.485 ' HE3' ' HB3' ' B' ' 34' ' ' LYS . 11.1 ttpp -89.21 101.23 13.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.543 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -77.76 101.12 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.51 136.34 47.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.573 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 tp -101.31 91.04 4.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.043 0.449 . . . . 10.0 109.946 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.529 ' HB ' HG13 ' B' ' 43' ' ' ILE . 89.9 t -100.95 122.78 53.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.527 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 60.55 26.36 16.03 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.842 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.34 17.5 77.8 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.461 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.05 148.99 41.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.735 0.303 . . . . 10.0 110.87 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -81.08 100.4 9.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.738 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.529 HG13 ' HB ' ' B' ' 38' ' ' VAL . 20.6 mm -99.74 102.56 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.844 -0.617 . . . . 10.0 109.374 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.805 HD13 HD13 ' A' ' 44' ' ' ILE . 1.9 mp -88.9 107.99 18.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.263 0.554 . . . . 10.0 110.507 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.436 ' HG3' ' HD2' ' A' ' 41' ' ' LYS . 20.3 tt0 -110.46 105.08 56.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.121 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.446 ' HA ' HG12 ' B' ' 33' ' ' VAL . 55.7 Cg_endo -71.4 142.69 41.42 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.252 1.968 . . . . 10.0 111.445 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.14 101.93 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.541 ' HD3' ' OE2' ' B' ' 50' ' ' GLU . 4.7 ptp180 -44.32 112.44 0.41 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.196 -0.911 . . . . 10.0 112.134 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' B' ' 49' ' ' LYS . 41.7 mmtm -82.58 67.45 8.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.247 0.546 . . . . 10.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.541 ' OE2' ' HD3' ' B' ' 48' ' ' ARG . 85.1 mt-10 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.399 -0.81 . . . . 10.0 109.177 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 1' ' ' ' DC' . . . . . 0.758 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.045 0 C3'-C2'-C1' 99.539 -2.258 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.994 0 C3'-C2'-C1' 99.619 -2.2 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 3' ' ' ' DT' . . . . . 0.793 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.889 0 C3'-C2'-C1' 99.425 -2.339 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 4' ' ' ' DG' . . . . . 0.793 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.936 0 C3'-C2'-C1' 99.427 -2.338 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 5' ' ' ' DA' . . . . . 0.786 ' H62' ' HB2' ' A' ' 11' ' ' ASN . . . . . . . . 0 C2'--C1' 1.506 -1.08 0 C3'-C2'-C1' 99.428 -2.337 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 6' ' ' ' DT' . . . . . 0.474 " H2'" ' NH2' ' B' ' 16' ' ' ARG . . . . . . . . 0 C2'--C1' 1.507 -1.032 0 O4'-C1'-C2' 103.746 -2.14 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 7' ' ' ' DA' . . . . . 0.475 ' H62' ' HD1' ' A' ' 9' ' ' TRP . . . . . . . . 0 C2'--C1' 1.507 -1.022 0 C3'-C2'-C1' 99.668 -2.166 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 8' ' ' ' DT' . . . . . 0.556 H2'' ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.834 0 C3'-C2'-C1' 99.701 -2.142 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 9' ' ' ' DA' . . . . . 0.556 ' OP2' H2'' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.503 -1.269 0 C3'-C2'-C1' 98.81 -2.778 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 10' ' ' ' DT' . . . . . 0.529 ' H71' H2'' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 C3'-C2'-C1' 99.187 -2.509 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 11' ' ' ' DA' . . . . . 0.523 ' OP2' " H2'" ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.879 0 O4'-C1'-C2' 103.633 -2.243 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.808 0 O4'-C1'-C2' 103.633 -2.243 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 13' ' ' ' DT' . . . . . 0.759 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.007 0 C3'-C2'-C1' 98.904 -2.711 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 14' ' ' ' DG' . . . . . 0.759 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.079 0 C3'-C2'-C1' 99.437 -2.331 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 15' ' ' ' DC' . . . . . 0.424 ' C5 ' H2'' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.997 0 C3'-C2'-C1' 99.575 -2.232 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.646 H2'' ' C5 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-C1' 99.611 -2.207 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.646 ' C5 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.904 0 C3'-C2'-C1' 99.739 -2.115 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.6 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.866 0 C3'-C2'-C1' 99.644 -2.183 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.758 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.995 0 O4'-C1'-C2' 103.712 -2.171 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.758 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.952 0 C3'-C2'-C1' 99.708 -2.137 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.573 ' OP2' ' HE3' ' A' ' 7' ' ' LYS . . . . . . . . 0 C2'--C1' 1.507 -0.984 0 C3'-C2'-C1' 99.675 -2.161 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.482 H2'' ' OP2' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.041 0 C3'-C2'-C1' 99.525 -2.268 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.511 H2'' ' OP2' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.022 0 C3'-C2'-C1' 99.397 -2.359 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.511 ' OP2' H2'' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.063 0 C3'-C2'-C1' 99.472 -2.306 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.937 0 C3'-C2'-C1' 99.696 -2.146 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Y' Y ' 11' ' ' ' DT' . . . . . 0.46 H2'' ' C6 ' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 C3'-C2'-C1' 99.114 -2.561 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.895 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.142 0 C3'-C2'-C1' 98.889 -2.722 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.895 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.972 0 C3'-C2'-C1' 99.633 -2.19 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 99.565 -2.239 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.758 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.006 0 C3'-C2'-C1' 99.477 -2.302 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 112.185 -0.366 . . . . 10.0 112.185 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 mt -74.24 139.8 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 110.419 -0.215 . . . . 10.0 110.419 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -90.12 126.13 35.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.3 m -138.54 143.15 39.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.723 0.297 . . . . 10.0 111.521 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.83 125.6 39.6 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.883 0.373 . . . . 10.0 111.263 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -77.46 112.41 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.44 . . . . 10.0 109.876 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -91.05 177.22 6.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.83 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -100.28 116.74 32.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.836 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.656 ' HH2' ' HB2' ' B' ' 7' ' ' LYS . 4.6 t90 -90.9 84.93 5.85 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.34 -65.88 3.56 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.455 ' OD1' " H2'" ' X' ' 4' ' ' ' DG' . 6.5 t-20 -144.47 -41.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.2 0.524 . . . . 10.0 109.926 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -91.36 136.57 26.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.224 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 36.1 Cg_endo -64.99 152.2 83.21 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.651 2.234 . . . . 10.0 112.063 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.95 139.55 30.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.126 0.489 . . . . 10.0 111.881 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.9 t -94.56 111.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.011 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -66.3 127.29 31.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.426 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.0 mm -105.96 121.9 44.2 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.074 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HA ' ' OP1' ' Y' ' 4' ' ' ' DC' . 53.2 Cg_exo -55.58 124.88 17.36 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.57 2.18 . . . . 10.0 112.075 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.79 -30.32 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.329 0.585 . . . . 10.0 110.531 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -40.8 89.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.414 -0.812 . . . . 10.0 109.801 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.2 -32.21 66.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.417 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.0 mmm -59.24 -44.39 92.35 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.557 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -69.51 -32.56 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.452 -0.795 . . . . 10.0 110.717 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.94 45.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.12 -16.99 63.19 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.4 t30 74.19 60.42 0.08 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.53 162.1 36.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.933 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -126.02 176.08 7.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.565 0.221 . . . . 10.0 110.806 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.7 146.33 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.265 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.53 20.53 3.1 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.023 0.529 . . . . 10.0 112.185 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.57 ' O ' ' HA ' ' B' ' 5' ' ' SER . 19.5 t70 -76.93 139.14 40.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.72 100.9 12.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.006 0.432 . . . . 10.0 111.493 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 46' ' ' PRO . 27.4 m -94.64 138.05 21.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.101 0.477 . . . . 10.0 110.435 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HE3' ' HB3' ' A' ' 34' ' ' LYS . 15.3 ttpp -91.45 95.17 9.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mt -70.99 109.27 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.97 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.85 147.97 33.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.541 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.493 HD11 HD21 ' B' ' 25' ' ' LEU . 0.6 OUTLIER -105.29 100.19 9.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.511 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.7 t -122.8 120.82 61.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.565 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.38 23.37 13.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.92 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.29 18.04 78.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.803 -0.713 . . . . 10.0 111.603 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.572 ' HD3' ' HG2' ' B' ' 45' ' ' GLU . 73.6 mttt -117.32 150.4 38.88 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.804 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 81.7 mt -87.28 107.95 18.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.526 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.424 HG22 ' HG3' ' A' ' 45' ' ' GLU . 21.4 mm -93.46 107.32 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.64 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.666 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 45.9 mm -93.73 102.41 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.358 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.552 ' HG2' ' HD2' ' B' ' 41' ' ' LYS . 48.9 mt-10 -117.45 111.61 39.81 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.386 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.436 ' HA ' HG12 ' A' ' 33' ' ' VAL . 37.9 Cg_endo -66.3 128.42 19.36 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.821 2.347 . . . . 10.0 112.28 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 t -99.63 95.16 3.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.297 0.57 . . . . 10.0 109.741 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.511 ' HD3' ' OE2' ' A' ' 50' ' ' GLU . 9.1 ptp180 -65.14 98.67 0.32 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.74 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -74.51 87.94 2.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.068 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.511 ' OE2' ' HD3' ' A' ' 48' ' ' ARG . 89.3 mt-10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.518 -0.754 . . . . 10.0 110.973 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 112.027 -0.429 . . . . 10.0 112.027 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 44.3 mt -103.73 127.45 57.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.95 -0.389 . . . . 10.0 109.95 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -85.15 110.14 18.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.058 0.456 . . . . 10.0 111.524 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 10.8 m -128.15 146.21 50.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.378 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.57 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -90.28 132.2 35.67 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -179.372 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.471 HG22 HG22 ' B' ' 15' ' ' VAL . 44.4 t -77.31 102.16 3.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.656 ' HB2' ' HH2' ' A' ' 9' ' ' TRP . 71.9 mmtt -84.51 172.82 11.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.407 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.502 ' HA ' ' HA ' ' B' ' 13' ' ' PRO . 60.6 ttt180 -98.44 117.75 33.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.176 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -90.3 81.24 6.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.154 0.502 . . . . 10.0 110.931 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 -65.95 2.98 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.244 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -126.86 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.645 0.259 . . . . 10.0 110.472 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 42.0 m -87.66 149.27 45.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.423 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.502 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 49.1 Cg_endo -69.95 155.86 64.28 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.624 2.216 . . . . 10.0 111.756 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.14 136.13 17.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.872 0.368 . . . . 10.0 111.046 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.471 HG22 HG22 ' B' ' 6' ' ' VAL . 56.9 t -86.14 113.77 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.575 ' HD2' ' OP2' ' X' ' 6' ' ' ' DT' . 27.4 ttm180 -72.99 120.0 18.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.638 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 47.2 mm -107.24 112.31 62.91 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -53.44 140.96 63.1 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.678 2.252 . . . . 10.0 111.784 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.64 -23.0 64.43 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.972 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -43.26 99.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.309 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' B' ' 21' ' ' LEU . 3.5 mm? -75.35 -32.4 60.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.915 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.415 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 74.8 mmm -59.53 -35.92 75.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.78 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -82.75 -6.71 59.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.778 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.3 -34.68 16.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.11 0.481 . . . . 10.0 110.361 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.493 HD21 HD11 ' A' ' 37' ' ' LEU . 80.8 mt -94.21 -14.71 25.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.244 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 62.5 t30 70.16 59.88 0.25 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.364 -0.835 . . . . 10.0 112.798 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -129.28 150.83 50.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.284 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 49.8 m-80 -113.5 -172.05 2.0 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -76.61 140.82 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.198 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 75.37 9.89 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.775 0.672 . . . . 10.0 111.737 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 0.6 OUTLIER -67.61 124.9 24.54 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.821 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -82.04 98.0 8.41 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.319 0.581 . . . . 10.0 111.991 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' B' ' 46' ' ' PRO . 22.7 m -90.48 164.15 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -105.26 120.55 41.82 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.441 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.3 mt -104.49 108.74 25.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -119.82 153.76 35.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.829 0.347 . . . . 10.0 110.761 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' B' ' 37' ' ' LEU . 3.9 mm? -98.56 97.15 8.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.489 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.781 ' HB ' HG13 ' B' ' 43' ' ' ILE . 41.8 t -123.56 135.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.04 -0.527 . . . . 10.0 109.932 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.472 ' HB3' ' HE2' ' B' ' 41' ' ' LYS . 7.4 t70 64.89 13.35 8.49 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.647 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.75 25.49 56.1 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.584 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.552 ' HD2' ' HG2' ' A' ' 45' ' ' GLU . 4.6 pttt -143.45 169.36 17.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.685 -0.303 . . . . 10.0 110.854 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.666 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 96.7 mt -82.76 111.42 18.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.409 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.781 HG13 ' HB ' ' B' ' 38' ' ' VAL . 32.8 mm -101.41 105.34 17.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.804 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 35.1 mm -89.79 100.42 10.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.925 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.572 ' HG2' ' HD3' ' A' ' 41' ' ' LYS . 43.8 mt-10 -103.32 114.5 64.94 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.613 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.54 ' HA ' HG12 ' B' ' 33' ' ' VAL . 38.4 Cg_endo -66.96 131.83 26.55 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.738 2.292 . . . . 10.0 112.043 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.5 117.84 53.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.919 0.39 . . . . 10.0 110.11 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -87.13 123.97 32.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.614 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -79.12 79.63 5.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.306 0.574 . . . . 10.0 109.913 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.551 -179.157 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 1' ' ' ' DC' . . . . . 0.737 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.074 0 C3'-C2'-C1' 99.459 -2.315 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.968 0 O4'-C1'-C2' 103.862 -2.034 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 3' ' ' ' DT' . . . . . 0.815 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.984 0 C3'-C2'-C1' 99.539 -2.258 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 4' ' ' ' DG' . . . . . 0.815 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.987 0 O4'-C1'-C2' 103.701 -2.181 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 5' ' ' ' DA' . . . . . 0.482 " H1'" " H5'" ' X' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.102 0 C3'-C2'-C1' 99.251 -2.463 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 6' ' ' ' DT' . . . . . 0.575 ' OP2' ' HD2' ' B' ' 16' ' ' ARG . . . . . . . . 0 C2'--C1' 1.507 -0.983 0 O4'-C1'-C2' 103.738 -2.147 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 7' ' ' ' DA' . . . . . 0.471 ' C8 ' ' H72' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.928 0 C3'-C2'-C1' 99.512 -2.277 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 8' ' ' ' DT' . . . . . 0.589 H2'' ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.0 0 C3'-C2'-C1' 99.539 -2.258 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 9' ' ' ' DA' . . . . . 0.589 ' OP2' H2'' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 C3'-C2'-C1' 99.447 -2.323 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 10' ' ' ' DT' . . . . . 0.42 H2'' ' C8 ' ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.108 0 C3'-C2'-C1' 99.344 -2.397 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 11' ' ' ' DA' . . . . . 0.452 ' OP2' " H2'" ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 O4'-C1'-C2' 103.59 -2.282 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 12' ' ' ' DG' . . . . . 0.464 H2'' ' C7 ' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.115 0 C3'-C2'-C1' 99.273 -2.448 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 13' ' ' ' DT' . . . . . 0.816 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.926 0 C3'-C2'-C1' 99.558 -2.244 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 14' ' ' ' DG' . . . . . 0.816 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.068 0 C3'-C2'-C1' 99.35 -2.393 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 15' ' ' ' DC' . . . . . 0.513 ' C6 ' H2'' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.889 0 C3'-C2'-C1' 99.556 -2.246 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.671 H2'' ' C5 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.917 0 C3'-C2'-C1' 99.467 -2.31 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.671 ' C5 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 C3'-C2'-C1' 99.52 -2.272 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.619 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.058 0 C3'-C2'-C1' 99.536 -2.26 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.702 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.068 0 C3'-C2'-C1' 99.658 -2.173 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.702 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.944 0 O4'-C1'-C2' 103.662 -2.216 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.541 " H1'" " H5'" ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.138 0 C3'-C2'-C1' 99.675 -2.161 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.541 " H5'" " H1'" ' Y' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.2 0 C3'-C2'-C1' 99.246 -2.467 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.537 ' OP2' H2'' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.314 -2.419 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.481 H2'' ' C8 ' ' Y' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.925 0 C3'-C2'-C1' 99.738 -2.116 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 10' ' ' ' DA' . . . . . 0.481 ' C8 ' H2'' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.139 0 C3'-C2'-C1' 99.67 -2.164 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.981 0 C3'-C2'-C1' 99.392 -2.363 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.832 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.282 0 C3'-C2'-C1' 99.371 -2.378 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.832 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.99 0 C3'-C2'-C1' 99.327 -2.409 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.978 0 C3'-C2'-C1' 99.637 -2.188 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.737 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.043 0 C3'-C2'-C1' 99.339 -2.401 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.654 -0.578 . . . . 10.0 111.654 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.743 HG13 ' HB ' ' B' ' 35' ' ' ILE . 10.2 pt -94.99 140.86 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 122.63 -0.336 . . . . 10.0 110.203 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -90.41 130.75 36.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.155 0.503 . . . . 10.0 111.541 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.0 m -149.27 163.98 36.14 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.55 136.47 54.89 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.731 0.3 . . . . 10.0 111.295 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.488 HG12 ' HB2' ' A' ' 13' ' ' PRO . 13.9 t -78.74 101.57 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -91.59 162.78 14.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.109 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 7.8 ttm180 -83.3 125.45 31.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.269 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -104.32 84.21 2.18 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.551 ' HA2' ' H73' ' Y' ' 9' ' ' ' DT' . . . 80.54 -62.34 4.35 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -138.98 -65.09 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.393 . . . . 10.0 110.06 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -80.46 143.85 56.22 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.396 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HB2' HG12 ' A' ' 6' ' ' VAL . 56.1 Cg_endo -71.38 153.73 61.12 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.496 2.13 . . . . 10.0 111.376 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.43 145.68 31.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.211 0.529 . . . . 10.0 112.094 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 6' ' ' VAL . 48.0 t -98.5 123.07 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.357 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 16' ' ' ARG . 51.5 mtt180 -82.34 128.06 33.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.952 0.406 . . . . 10.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.7 mm -120.79 100.58 46.31 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.411 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.487 ' HD2' HD23 ' A' ' 21' ' ' LEU . 50.9 Cg_exo -55.18 159.48 9.93 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.791 2.327 . . . . 10.0 111.985 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.73 -28.76 16.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.584 0.957 . . . . 10.0 113.584 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -49.52 75.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.487 HD23 ' HD2' ' A' ' 18' ' ' PRO . 2.3 mm? -72.66 -32.29 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.27 -178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.591 ' HG3' ' HG2' ' B' ' 13' ' ' PRO . 92.9 mmm -61.92 -43.65 98.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.468 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -74.64 -24.86 58.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.796 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.54 -41.53 96.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.0 -12.3 28.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.914 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 69.74 51.52 0.45 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.037 0.836 . . . . 10.0 111.752 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -121.11 159.52 25.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.07 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -120.38 -166.68 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.083 0.468 . . . . 10.0 111.662 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 mm -78.03 149.7 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.45 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 69.19 18.89 8.08 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.241 0.616 . . . . 10.0 111.788 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' B' ' 5' ' ' SER . 7.1 t70 -73.93 145.47 44.69 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.8 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -93.02 98.03 11.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.288 0.566 . . . . 10.0 111.895 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 16.8 m -94.37 141.74 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.092 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 35.3 mtmt -97.51 121.43 39.4 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.6 mt -100.17 110.7 27.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.352 -0.385 . . . . 10.0 109.999 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -120.41 168.16 11.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.388 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD21 HD12 ' B' ' 21' ' ' LEU . 3.1 mm? -112.02 40.82 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.919 0.39 . . . . 10.0 111.768 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.775 ' HB ' HG13 ' A' ' 43' ' ' ILE . 25.1 t -69.01 131.31 33.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.384 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.69 ' HB3' ' HD3' ' A' ' 41' ' ' LYS . 9.2 t70 69.69 8.81 6.92 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.31 0.644 . . . . 10.0 112.204 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.87 24.69 54.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.862 -0.685 . . . . 10.0 113.299 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.69 ' HD3' ' HB3' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -136.43 170.86 15.36 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.665 -0.315 . . . . 10.0 110.307 179.165 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.93 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 85.9 mt -81.6 101.44 10.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.849 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.775 HG13 ' HB ' ' A' ' 38' ' ' VAL . 48.8 mm -87.6 107.56 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.899 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 18.5 mm -106.77 99.24 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.903 0.382 . . . . 10.0 111.015 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HG3' ' HE3' ' A' ' 34' ' ' LYS . 5.1 pt-20 -121.63 121.4 28.32 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.145 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . 93.8 Cg_endo -80.36 156.12 22.16 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.785 2.323 . . . . 10.0 111.833 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.44 132.38 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.0 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -77.15 109.45 11.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.264 0.554 . . . . 10.0 110.819 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -84.65 85.79 7.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.45 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.427 -0.797 . . . . 10.0 110.122 179.738 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.407 0 N-CA-C 112.141 -0.384 . . . . 10.0 112.141 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 mt -88.61 148.26 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.632 -0.506 . . . . 10.0 109.632 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -95.24 129.81 42.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.069 0.462 . . . . 10.0 111.206 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.55 156.28 48.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.184 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 19.8 m -105.0 128.8 53.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.971 0.415 . . . . 10.0 111.841 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 32.4 t -67.84 111.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.409 ' HG3' ' NH1' ' B' ' 16' ' ' ARG . 73.8 mmtt -98.46 -179.08 4.22 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.23 0.455 . . . . 10.0 112.23 -178.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -105.51 114.1 28.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 10.0 112.207 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.501 ' HZ2' ' C7 ' ' Y' ' 7' ' ' ' DT' . 3.6 t90 -89.96 79.01 6.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.697 -1.223 . . . . 10.0 107.697 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.0 -55.58 4.8 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.52 -1.032 . . . . 10.0 110.52 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -152.13 -52.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' SER . . . . . 0.632 ' OG ' " H2'" ' Y' ' 4' ' ' ' DC' . 0.8 OUTLIER -69.93 139.77 88.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.252 -0.886 . . . . 10.0 112.037 -179.363 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.591 ' HG2' ' HG3' ' A' ' 22' ' ' MET . 27.2 Cg_exo -66.07 133.28 32.7 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 123.052 2.502 . . . . 10.0 110.366 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.37 132.6 47.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.011 0.434 . . . . 10.0 111.895 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 38.9 t -93.68 113.06 27.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.522 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 16' ' ' ARG . 66.6 mtt180 -69.89 122.68 19.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.538 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 42.4 mm -106.83 118.55 53.93 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -50.52 124.27 12.96 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.907 2.405 . . . . 10.0 112.01 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.95 -30.48 66.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.966 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -40.33 86.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.761 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.426 HD12 HD21 ' A' ' 37' ' ' LEU . 3.7 mm? -71.84 -27.9 63.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.175 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.6 mmm -62.59 -27.87 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.502 0.668 . . . . 10.0 109.733 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -82.4 -10.93 58.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.442 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.45 -38.33 26.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 10.0 110.437 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 74.3 mt -90.89 -8.03 50.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.22 0.533 . . . . 10.0 109.698 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 52.4 t30 64.27 60.45 0.96 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.713 -1.131 . . . . 10.0 113.165 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -131.55 148.93 52.66 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 2.7 t-20 -108.5 -173.32 2.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.811 0.339 . . . . 10.0 110.598 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mm -75.39 149.68 6.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 76.23 4.83 3.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.933 0.493 . . . . 10.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 0.2 OUTLIER -71.99 133.4 45.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.54 179.726 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -74.03 129.81 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.987 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 m -123.26 144.03 34.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.268 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.1 113.07 25.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.341 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.743 ' HB ' HG13 ' A' ' 2' ' ' ILE . 54.7 mt -93.43 102.29 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.416 ' HB3' HG23 ' B' ' 38' ' ' VAL . 0.4 OUTLIER -114.6 130.68 56.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.313 -179.457 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.33 75.6 6.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.157 -0.474 . . . . 10.0 109.829 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.554 ' HB ' HG13 ' B' ' 43' ' ' ILE . 58.7 t -109.2 134.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.08 -178.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 66.92 24.77 9.58 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.943 0.72 . . . . 10.0 112.943 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.57 18.1 79.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.839 -0.696 . . . . 10.0 113.243 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -137.68 165.14 27.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.757 0.279 . . . . 10.0 110.539 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.899 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 56.4 mt -85.45 108.5 17.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.162 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.554 HG13 ' HB ' ' B' ' 38' ' ' VAL . 36.0 mm -95.93 102.17 13.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.93 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 30.9 mm -96.58 110.64 25.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.2 0.524 . . . . 10.0 110.79 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.501 ' HG2' ' HE3' ' A' ' 41' ' ' LYS . 27.6 mt-10 -111.11 127.58 26.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 17.5 Cg_exo -67.95 127.89 16.83 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.765 2.31 . . . . 10.0 111.35 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 61.1 t -106.34 111.97 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.909 0.385 . . . . 10.0 111.087 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.494 ' HD3' ' OE2' ' B' ' 50' ' ' GLU . 9.3 ptp180 -82.28 123.63 29.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.608 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.502 ' HA ' ' HD3' ' B' ' 49' ' ' LYS . 17.2 mmtp -89.5 88.45 7.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.379 0.609 . . . . 10.0 112.136 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.494 ' OE2' ' HD3' ' B' ' 48' ' ' ARG . 24.5 mt-10 . . . . . 0 C--O 1.253 1.266 0 CA-C-O 117.956 -1.021 . . . . 10.0 109.707 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 1' ' ' ' DC' . . . . . 0.74 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.041 0 O4'-C1'-C2' 103.832 -2.062 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.043 0 C3'-C2'-C1' 99.571 -2.235 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 3' ' ' ' DT' . . . . . 0.732 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.879 0 C3'-C2'-C1' 99.558 -2.244 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 4' ' ' ' DG' . . . . . 0.732 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.097 0 C3'-C2'-C1' 99.338 -2.402 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 5' ' ' ' DA' . . . . . 0.727 H2'' ' OP2' ' X' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.247 0 C3'-C2'-C1' 99.265 -2.454 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 6' ' ' ' DT' . . . . . 0.727 ' OP2' H2'' ' X' ' 5' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.123 0 C3'-C2'-C1' 99.675 -2.16 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 7' ' ' ' DA' . . . . . 0.497 " H1'" " H5'" ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.004 0 C3'-C2'-C1' 99.572 -2.235 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 8' ' ' ' DT' . . . . . 0.628 H2'' ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.09 0 C3'-C2'-C1' 99.576 -2.231 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 9' ' ' ' DA' . . . . . 0.628 ' OP2' H2'' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.04 0 C3'-C2'-C1' 99.507 -2.281 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 10' ' ' ' DT' . . . . . 0.478 ' H71' H2'' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.959 0 C3'-C2'-C1' 99.272 -2.448 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.16 0 C3'-C2'-C1' 99.648 -2.18 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 99.461 -2.314 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 13' ' ' ' DT' . . . . . 0.856 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.085 0 C3'-C2'-C1' 99.435 -2.332 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 14' ' ' ' DG' . . . . . 0.856 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.069 0 C3'-C2'-C1' 99.557 -2.245 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.017 0 C3'-C2'-C1' 99.574 -2.233 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.68 H2'' ' C6 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.096 0 C3'-C2'-C1' 99.618 -2.201 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.68 ' C6 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.093 0 C3'-C2'-C1' 99.351 -2.392 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.58 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.842 0 O4'-C1'-C2' 103.695 -2.186 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.76 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.19 0 C3'-C2'-C1' 99.411 -2.349 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.76 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.51 -0.776 0 O4'-C1'-C2' 103.535 -2.332 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.543 H2'' ' OP2' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.503 -1.265 0 C3'-C2'-C1' 99.435 -2.332 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.543 ' OP2' H2'' ' Y' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.208 0 C3'-C2'-C1' 99.489 -2.294 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.512 ' OP2' H2'' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.981 0 C3'-C2'-C1' 99.36 -2.386 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.641 H2'' ' C8 ' ' Y' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C3'-C2'-C1' 99.29 -2.436 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 10' ' ' ' DA' . . . . . 0.641 ' C8 ' H2'' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.044 0 O4'-C1'-C2' 103.82 -2.072 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 11' ' ' ' DT' . . . . . 0.404 H2'' ' C6 ' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 C3'-C2'-C1' 99.464 -2.312 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.799 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.075 0 C3'-C2'-C1' 98.995 -2.647 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.799 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.021 0 C3'-C2'-C1' 99.507 -2.28 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.026 0 C3'-C2'-C1' 99.498 -2.287 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.74 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.948 0 O4'-C1'-C2' 103.742 -2.143 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.027 -0.429 . . . . 10.0 112.027 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.1 mt -93.4 123.1 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -91.42 108.47 19.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.949 0.404 . . . . 10.0 110.786 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -121.9 142.93 49.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.503 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.12 138.65 31.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.504 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.5 t -94.29 131.24 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.884 0.373 . . . . 10.0 110.7 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -119.65 174.21 6.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.597 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 40.2 ttm105 -95.62 131.71 41.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.29 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.567 ' HB3' HH12 ' B' ' 16' ' ' ARG . 5.2 t90 -102.95 83.47 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.28 -83.33 1.61 Allowed Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.948 -0.861 . . . . 10.0 110.948 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -119.45 -52.55 2.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.425 . . . . 10.0 110.011 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.427 ' OG ' ' H8 ' ' X' ' 5' ' ' ' DA' . 14.8 m -91.06 147.28 35.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.122 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.597 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 51.5 Cg_endo -68.45 167.89 21.19 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.703 2.269 . . . . 10.0 112.641 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.09 131.6 5.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.357 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.417 HG23 HD12 ' B' ' 17' ' ' ILE . 96.7 t -85.09 115.75 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.877 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -77.96 125.74 29.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.378 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.451 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 61.8 mt -119.73 125.33 27.48 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.149 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 17' ' ' ILE . 1.5 Cg_endo -46.59 132.3 16.23 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.668 2.912 . . . . 10.0 112.45 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.9 -30.89 66.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.661 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -33.66 76.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.691 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.29 -30.27 60.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.688 ' HG3' ' HG3' ' B' ' 13' ' ' PRO . 22.7 mmm -63.28 -36.96 85.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.425 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.58 -29.37 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -16.94 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.771 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 26.7 mt -103.92 -3.49 24.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.557 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.9 t30 65.79 9.95 6.43 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.536 0.939 . . . . 10.0 113.536 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -91.72 165.63 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.666 -0.414 . . . . 10.0 110.655 179.819 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -128.47 -172.47 2.71 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.692 0.282 . . . . 10.0 111.118 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' B' ' 8' ' ' ARG . 28.3 mm -75.79 147.27 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t70 76.83 3.28 3.39 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.626 0.579 . . . . 10.0 111.423 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.96 165.86 24.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.308 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -107.84 139.6 42.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.286 0.565 . . . . 10.0 111.139 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 46' ' ' PRO . 11.9 m -123.27 136.02 61.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.811 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -89.59 98.58 11.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.806 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.498 HG12 HG13 ' A' ' 44' ' ' ILE . 59.3 mt -77.94 111.73 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.127 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.23 126.57 52.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.292 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 tp -90.02 85.21 6.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.495 -0.558 . . . . 10.0 109.495 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t -109.62 128.49 65.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.142 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t0 61.94 20.47 11.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.811 -0.631 . . . . 10.0 112.543 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.95 12.48 82.59 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.818 -0.706 . . . . 10.0 112.534 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.36 150.58 37.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.984 0.421 . . . . 10.0 110.375 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.566 HD13 HD13 ' B' ' 17' ' ' ILE . 88.3 mt -82.17 97.79 8.39 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.307 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.9 mm -93.06 95.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.498 HG13 HG12 ' A' ' 35' ' ' ILE . 2.7 mp -86.21 108.72 17.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.522 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 30.4 tt0 -112.58 105.73 55.89 Favored Pre-proline 0 N--CA 1.451 -0.424 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.761 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.49 ' HA ' HG12 ' A' ' 33' ' ' VAL . 34.4 Cg_endo -65.03 145.08 84.4 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.648 2.232 . . . . 10.0 111.665 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -72.25 108.24 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.124 0.488 . . . . 10.0 109.844 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 48' ' ' ARG . 5.5 ptp180 -54.43 133.52 45.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.066 -0.97 . . . . 10.0 111.726 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -87.51 88.91 7.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.851 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.179 -0.915 . . . . 10.0 110.417 -179.17 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.155 -0.778 . . . . 10.0 111.155 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 46.2 mt -110.34 119.32 59.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.806 0.303 . . . . 10.0 110.826 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -100.18 88.49 3.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.168 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -90.59 155.42 18.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.705 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.87 133.59 41.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.049 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 t -83.82 93.0 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.579 ' HE3' ' OP2' ' X' ' 7' ' ' ' DA' . 35.4 mmtt -82.84 164.14 20.74 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.94 -178.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.527 ' HB2' HG21 ' A' ' 29' ' ' ILE . 17.5 ttm180 -90.52 106.88 18.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.834 -179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -84.51 80.63 9.17 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.777 -1.194 . . . . 10.0 107.777 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.55 -58.61 4.87 Favored Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.829 ' HB3' ' H5 ' ' Y' ' 4' ' ' ' DC' . 10.9 t30 -159.18 -47.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' SER . . . . . 0.64 ' HG ' ' H6 ' ' Y' ' 4' ' ' ' DC' . 11.7 m -75.71 128.76 83.04 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.334 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.688 ' HG3' ' HG3' ' A' ' 22' ' ' MET . 56.4 Cg_endo -71.2 150.12 58.94 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.772 2.314 . . . . 10.0 112.173 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.73 137.66 38.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.623 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.438 HG11 HG12 ' A' ' 44' ' ' ILE . 44.0 t -80.0 125.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.406 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.567 HH12 ' HB3' ' A' ' 9' ' ' TRP . 6.4 mmt-85 -73.59 93.22 2.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.951 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.566 HD13 HD13 ' A' ' 42' ' ' LEU . 78.0 mt -107.21 111.97 63.11 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.944 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.583 ' HG2' HD23 ' B' ' 21' ' ' LEU . 19.3 Cg_endo -59.67 146.13 96.22 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.911 2.407 . . . . 10.0 111.968 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.88 -26.24 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.053 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -39.0 81.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.009 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.583 HD23 ' HG2' ' B' ' 18' ' ' PRO . 3.7 mm? -73.07 -35.11 66.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.468 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.8 mmm -62.11 -40.56 96.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.106 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -65.84 -33.29 75.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.704 . . . . 10.0 111.382 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.88 64.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.3 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 68.4 mt -93.7 -10.06 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.25 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 70.31 36.2 1.86 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.41 161.74 21.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -139.65 -165.14 1.82 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 mm -70.61 148.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.111 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 75.14 5.59 4.24 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -82.0 169.12 17.12 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -114.88 143.85 44.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.067 0.46 . . . . 10.0 110.455 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' B' ' 46' ' ' PRO . 16.4 m -124.37 139.38 50.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.826 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -92.63 92.15 7.87 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 50.3 mt -75.76 109.38 9.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.023 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -104.94 139.87 39.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.13 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 tp -101.67 85.82 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.272 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.5 t -91.57 111.24 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.817 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 63.03 12.16 5.71 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.847 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.02 5.92 54.41 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.728 -0.748 . . . . 10.0 112.208 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.39 147.43 23.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.648 0.261 . . . . 10.0 110.305 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 95.1 mt -83.2 93.18 7.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.419 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 18.4 mm -92.42 91.19 3.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.413 HD12 HD13 ' A' ' 44' ' ' ILE . 55.2 mt -84.37 95.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.107 0.479 . . . . 10.0 110.394 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -104.95 107.54 58.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.787 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' B' ' 33' ' ' VAL . 44.8 Cg_endo -67.73 157.27 62.53 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.75 2.3 . . . . 10.0 112.371 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 77.9 t -82.64 118.87 31.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.251 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 48' ' ' ARG . 10.3 ptp180 -54.75 151.29 8.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.24 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -115.4 27.45 9.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.611 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 . . . . . 0 C--O 1.246 0.917 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.092 -179.521 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 1' ' ' ' DC' . . . . . 0.74 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.949 0 C3'-C2'-C1' 99.294 -2.433 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 2' ' ' ' DG' . . . . . 0.528 H2'' ' C6 ' ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.999 0 C3'-C2'-C1' 99.671 -2.163 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 3' ' ' ' DT' . . . . . 0.873 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.505 -1.129 0 C3'-C2'-C1' 98.98 -2.657 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 4' ' ' ' DG' . . . . . 0.873 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.975 0 C3'-C2'-C1' 99.471 -2.307 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 5' ' ' ' DA' . . . . . 0.652 H2'' ' OP2' ' X' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.126 0 C3'-C2'-C1' 99.077 -2.588 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 6' ' ' ' DT' . . . . . 0.652 ' OP2' H2'' ' X' ' 5' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.055 0 C3'-C2'-C1' 99.432 -2.334 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 7' ' ' ' DA' . . . . . 0.593 ' OP2' " H2'" ' X' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.059 0 C3'-C2'-C1' 99.381 -2.37 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 8' ' ' ' DT' . . . . . 0.542 H2'' ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.901 0 C3'-C2'-C1' 99.688 -2.151 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 9' ' ' ' DA' . . . . . 0.542 ' OP2' H2'' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.066 0 C3'-C2'-C1' 99.478 -2.301 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 10' ' ' ' DT' . . . . . 0.525 ' H6 ' ' OP2' ' X' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.907 0 C3'-C2'-C1' 99.439 -2.329 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 11' ' ' ' DA' . . . . . 0.609 H2'' ' OP2' ' X' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.883 0 O4'-C1'-C2' 103.719 -2.165 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 12' ' ' ' DG' . . . . . 0.609 ' OP2' H2'' ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.254 0 C3'-C2'-C1' 99.719 -2.129 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 13' ' ' ' DT' . . . . . 0.787 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 99.419 -2.344 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 14' ' ' ' DG' . . . . . 0.787 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.934 0 C3'-C2'-C1' 99.648 -2.18 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 15' ' ' ' DC' . . . . . 0.526 ' H6 ' H2'' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.925 0 C3'-C2'-C1' 99.487 -2.295 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.746 H2'' ' C5 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 99.624 -2.197 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.746 ' C5 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.001 0 C3'-C2'-C1' 99.648 -2.18 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.726 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.015 0 C3'-C2'-C1' 99.42 -2.343 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.829 ' H5 ' ' HB3' ' B' ' 11' ' ' ASN . . . . . . . . 0 C2'--C1' 1.507 -1.01 0 C3'-C2'-C1' 99.659 -2.172 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.774 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.032 0 C3'-C2'-C1' 99.706 -2.139 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.552 " H1'" " H5'" ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 C3'-C2'-C1' 99.652 -2.177 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.552 " H5'" " H1'" ' Y' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.012 0 O4'-C1'-C2' 103.627 -2.248 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.513 ' OP2' H2'' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.879 0 C3'-C2'-C1' 99.416 -2.345 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.515 H2'' ' C8 ' ' Y' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.837 0 O4'-C1'-C2' 103.767 -2.121 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 10' ' ' ' DA' . . . . . 0.515 ' C8 ' H2'' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.969 0 O4'-C1'-C2' 103.631 -2.245 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.211 0 C3'-C2'-C1' 99.542 -2.256 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.914 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.24 0 C3'-C2'-C1' 99.109 -2.565 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.914 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.015 0 C3'-C2'-C1' 99.297 -2.431 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.038 0 C3'-C2'-C1' 99.653 -2.176 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.74 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.085 0 C3'-C2'-C1' 99.587 -2.223 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 111.849 -0.5 . . . . 10.0 111.849 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.3 mt -131.79 145.45 34.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -98.32 97.84 9.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.181 0.515 . . . . 10.0 111.202 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.8 m -88.43 144.92 26.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.796 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -87.77 132.31 34.2 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 t -90.45 102.07 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HE3' " O5'" ' Y' ' 7' ' ' ' DT' . 65.6 mmtt -104.03 173.79 6.15 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.441 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -102.32 119.27 38.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.949 0.404 . . . . 10.0 111.662 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -115.65 104.82 12.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.744 ' HA2' ' H62' ' Y' ' 10' ' ' ' DA' . . . 84.3 -73.9 2.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.745 -0.741 . . . . 10.0 111.701 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.497 ' HB3' ' N7 ' ' X' ' 4' ' ' ' DG' . 12.8 t30 -147.72 -54.87 0.22 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.78 149.39 63.68 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.278 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.527 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 38.3 Cg_endo -68.53 150.43 75.17 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.631 2.221 . . . . 10.0 111.275 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.526 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -134.86 130.1 35.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.959 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.2 t -95.81 125.07 48.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.788 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.49 HH22 ' H71' ' Y' ' 7' ' ' ' DT' . 5.9 ptp180 -81.14 126.4 31.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.115 0.483 . . . . 10.0 111.378 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.3 mt -113.94 124.49 30.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.885 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.71 ' HG2' HD23 ' A' ' 21' ' ' LEU . 12.0 Cg_endo -55.45 140.4 82.73 Favored 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.784 2.323 . . . . 10.0 112.011 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.71 54.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.938 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -34.7 74.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.241 -0.436 . . . . 10.0 112.118 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.71 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.5 mm? -73.25 -31.61 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 10.0 110.806 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.444 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 57.0 mtm -65.53 -37.71 87.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.39 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -74.77 -15.93 60.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.31 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.72 -46.19 10.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.804 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.43 ' HB2' HD23 ' A' ' 27' ' ' LEU . 41.6 mt -88.84 -12.66 41.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.513 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.24 68.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.428 0.633 . . . . 10.0 111.727 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -127.83 148.25 50.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.056 178.503 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -111.59 177.28 4.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.951 0.405 . . . . 10.0 111.944 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mm -77.35 143.32 13.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.45 12.55 5.59 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.689 0.618 . . . . 10.0 111.62 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -79.29 164.56 24.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -106.25 128.39 53.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.312 0.577 . . . . 10.0 111.944 -179.302 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' B' ' 3' ' ' HIS . 15.4 m -113.31 140.04 35.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.399 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 34' ' ' LYS . 23.0 ttpt -91.34 100.82 13.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.412 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.471 HG12 HG13 ' A' ' 44' ' ' ILE . 62.2 mt -82.7 113.53 22.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.681 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -112.38 163.22 14.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.061 -0.518 . . . . 10.0 109.703 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.431 HD11 HD21 ' B' ' 25' ' ' LEU . 17.5 tp -123.98 107.29 11.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.144 0.497 . . . . 10.0 110.554 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -127.93 125.45 64.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.313 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 62.97 21.23 12.77 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.614 0.721 . . . . 10.0 111.505 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.41 12.56 84.16 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.773 -0.727 . . . . 10.0 111.777 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.92 145.37 31.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 110.418 -0.215 . . . . 10.0 110.418 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.1 mt -80.01 103.37 9.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.229 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.8 mm -96.06 92.93 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.087 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.87 HD13 HD13 ' B' ' 44' ' ' ILE . 3.5 mp -88.47 100.72 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.298 0.57 . . . . 10.0 109.783 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 33.5 tt0 -105.85 111.6 64.54 Favored Pre-proline 0 N--CA 1.448 -0.554 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.359 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.54 129.67 18.25 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.599 2.199 . . . . 10.0 111.173 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 t -76.42 101.47 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.47 ' HD3' ' OE1' ' A' ' 50' ' ' GLU . 9.7 ptp180 -49.9 137.56 16.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.82 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -99.05 30.33 3.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.152 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' OE1' ' HD3' ' A' ' 48' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.597 -0.716 . . . . 10.0 110.365 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.845 0 N-CA-C 111.964 -0.454 . . . . 10.0 111.964 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 41.8 mt -100.7 117.78 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' HIS . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 19.6 m-70 -95.77 105.0 16.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.88 0.371 . . . . 10.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m -109.34 149.17 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.52 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.451 ' HB2' ' HE2' ' B' ' 7' ' ' LYS . 0.0 OUTLIER -88.55 137.49 32.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.867 0.365 . . . . 10.0 111.145 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 11.3 t -78.96 78.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.766 ' HE3' " H3'" ' X' ' 5' ' ' ' DA' . 74.8 mmtt -69.78 155.72 40.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.837 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 8' ' ' ARG . 33.6 ttt180 -93.63 111.24 22.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.521 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.5 ' CE2' ' H72' ' Y' ' 7' ' ' ' DT' . 3.7 t90 -83.82 74.74 10.16 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.73 -57.4 4.93 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.64 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -146.55 -49.28 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.872 0.367 . . . . 10.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.58 149.67 65.02 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.277 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.444 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 93.6 Cg_endo -80.12 146.88 18.26 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.627 2.218 . . . . 10.0 112.412 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.526 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -141.8 134.42 28.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.778 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -95.39 132.17 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.02 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -82.16 127.09 32.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.47 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 77.2 mt -122.39 119.04 28.57 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.528 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.23 137.2 70.46 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.951 2.434 . . . . 10.0 112.421 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.27 -31.7 70.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.473 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -28.18 68.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.887 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.91 -35.64 23.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.138 0.494 . . . . 10.0 110.114 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.527 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 36.1 mmm -61.27 -48.13 82.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.891 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -68.27 -21.02 64.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.498 -0.774 . . . . 10.0 111.069 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.71 -35.94 67.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.431 HD21 HD11 ' A' ' 37' ' ' LEU . 48.1 mt -90.48 -7.16 53.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.654 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 t30 74.62 16.7 3.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.218 1.192 . . . . 10.0 114.218 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' B' ' 46' ' ' PRO . 0.8 OUTLIER -94.39 153.39 17.99 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.687 -0.405 . . . . 10.0 109.932 178.709 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.74 -174.54 2.95 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 27.2 mm -72.63 150.18 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.6 t70 77.85 0.17 2.76 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.599 0.714 . . . . 10.0 111.445 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.76 165.25 25.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.906 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -110.43 131.39 55.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.802 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.464 ' HB ' HG23 ' B' ' 44' ' ' ILE . 8.0 m -111.51 131.54 62.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 10.0 111.266 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.489 ' HE3' ' HB3' ' B' ' 34' ' ' LYS . 22.5 ttpp -85.36 92.88 8.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.376 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.621 HG12 HG13 ' B' ' 44' ' ' ILE . 60.2 mt -78.84 118.21 25.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.03 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -122.82 144.65 49.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.344 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 25.6 tp -95.19 86.88 4.69 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.866 ' HB ' HG13 ' B' ' 43' ' ' ILE . 93.2 t -105.29 126.19 60.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.262 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 63.66 19.17 11.58 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.653 0.596 . . . . 10.0 111.307 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.17 15.66 79.93 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.164 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.36 157.08 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.784 0.326 . . . . 10.0 110.319 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 88.4 mt -81.31 98.33 8.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.681 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.866 HG13 ' HB ' ' B' ' 38' ' ' VAL . 29.5 mm -96.28 106.27 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.956 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.87 HD13 HD13 ' A' ' 44' ' ' ILE . 1.9 mp -93.36 110.56 23.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.918 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -114.32 101.48 54.17 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.179 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.449 ' HB3' HD13 ' B' ' 27' ' ' LEU . 44.4 Cg_endo -68.22 151.29 76.88 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.368 2.045 . . . . 10.0 111.959 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.38 102.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.038 0.447 . . . . 10.0 110.314 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -59.5 126.35 27.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.439 -0.8 . . . . 10.0 111.607 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -81.79 80.01 8.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.147 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.817 0 CA-C-O 118.613 -0.708 . . . . 10.0 110.546 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 1' ' ' ' DC' . . . . . 0.74 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 99.543 -2.255 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.059 0 C3'-C2'-C1' 99.526 -2.267 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 3' ' ' ' DT' . . . . . 0.818 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.077 0 C3'-C2'-C1' 99.209 -2.494 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 4' ' ' ' DG' . . . . . 0.818 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 C3'-C2'-C1' 99.445 -2.325 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 5' ' ' ' DA' . . . . . 0.766 " H3'" ' HE3' ' B' ' 7' ' ' LYS . . . . . . . . 0 C2'--C1' 1.507 -0.971 0 C3'-C2'-C1' 99.607 -2.209 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 6' ' ' ' DT' . . . . . 0.471 ' OP2' H2'' ' X' ' 5' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.141 0 C3'-C2'-C1' 99.276 -2.446 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 7' ' ' ' DA' . . . . . 0.713 " H1'" " H5'" ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.082 0 C3'-C2'-C1' 99.678 -2.159 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 8' ' ' ' DT' . . . . . 0.713 " H5'" " H1'" ' X' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.992 0 C3'-C2'-C1' 99.479 -2.301 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 9' ' ' ' DA' . . . . . 0.619 " H2'" ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.09 0 C3'-C2'-C1' 99.274 -2.447 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.057 0 C3'-C2'-C1' 99.217 -2.488 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 11' ' ' ' DA' . . . . . 0.592 H2'' ' OP2' ' X' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.964 0 O4'-C1'-C2' 103.669 -2.21 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 12' ' ' ' DG' . . . . . 0.592 ' OP2' H2'' ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.027 0 C3'-C2'-C1' 99.293 -2.434 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 13' ' ' ' DT' . . . . . 0.655 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.052 0 C3'-C2'-C1' 99.407 -2.352 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 14' ' ' ' DG' . . . . . 0.655 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.073 0 C3'-C2'-C1' 99.417 -2.345 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 15' ' ' ' DC' . . . . . 0.542 ' C6 ' H2'' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 C3'-C2'-C1' 99.715 -2.132 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.739 H2'' ' C6 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.09 0 O4'-C1'-C2' 103.784 -2.106 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.739 ' C6 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.997 0 C3'-C2'-C1' 99.748 -2.108 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.633 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.887 0 C3'-C2'-C1' 99.628 -2.195 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.708 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 O4'-C1'-C2' 103.676 -2.203 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.708 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.505 -1.177 0 C3'-C2'-C1' 99.515 -2.275 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.543 " H2'" ' OP2' ' Y' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.072 0 O4'-C1'-C2' 103.736 -2.149 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.51 " O5'" ' HE3' ' A' ' 7' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.933 0 C3'-C2'-C1' 99.543 -2.255 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.435 ' OP2' H2'' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.86 0 O4'-C1'-C2' 103.641 -2.236 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.562 H2'' ' C8 ' ' Y' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.15 0 C3'-C2'-C1' 99.605 -2.211 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 10' ' ' ' DA' . . . . . 0.744 ' H62' ' HA2' ' A' ' 10' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 99.654 -2.176 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 11' ' ' ' DT' . . . . . 0.405 H2'' ' OP2' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.505 -1.116 0 C3'-C2'-C1' 99.566 -2.238 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.782 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.134 0 C3'-C2'-C1' 99.251 -2.464 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.782 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.987 0 C3'-C2'-C1' 99.46 -2.315 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.17 0 C3'-C2'-C1' 99.217 -2.488 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.74 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.896 0 O4'-C1'-C2' 103.762 -2.125 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.882 -0.487 . . . . 10.0 111.882 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 56.7 mt -89.97 111.51 23.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.741 0.305 . . . . 10.0 110.619 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -77.13 101.43 6.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.102 0.477 . . . . 10.0 110.357 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 m -102.83 143.01 32.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.99 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.87 132.84 34.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.288 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.43 97.75 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.617 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.549 ' HE3' " O5'" ' Y' ' 7' ' ' ' DT' . 69.4 mmtt -87.28 163.64 16.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.438 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 5.4 tmm_? -102.48 108.97 20.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.638 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -93.88 107.22 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.647 ' HA2' ' H62' ' Y' ' 10' ' ' ' DA' . . . 79.02 -68.77 3.03 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.564 -0.827 . . . . 10.0 111.18 -178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -153.8 -45.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.907 0.384 . . . . 10.0 110.25 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.556 ' OG ' ' H8 ' ' X' ' 4' ' ' ' DG' . 0.9 OUTLIER -85.02 134.17 41.7 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.422 179.616 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.495 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 19.7 Cg_endo -62.37 147.8 94.33 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.39 2.06 . . . . 10.0 110.748 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.34 122.43 21.44 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.036 0.446 . . . . 10.0 111.836 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.9 t -87.85 116.99 30.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -77.64 139.97 39.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.009 0.433 . . . . 10.0 111.777 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.5 mt -118.19 124.73 28.41 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.459 ' HG2' HD23 ' A' ' 21' ' ' LEU . 18.9 Cg_endo -61.73 147.23 95.77 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.451 2.101 . . . . 10.0 111.401 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.8 -30.05 56.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.538 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -40.14 84.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.635 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.459 HD23 ' HG2' ' A' ' 18' ' ' PRO . 2.4 mm? -72.85 -31.1 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 10.0 110.544 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -65.65 -39.72 91.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.111 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -75.69 -24.82 56.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.89 -46.61 23.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.589 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.555 ' HB2' HD23 ' A' ' 27' ' ' LEU . 89.9 mt -86.71 -5.1 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.848 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 t30 58.02 56.7 4.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.234 0.54 . . . . 10.0 111.3 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 25' ' ' LEU . 1.7 pp -110.27 165.54 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.793 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -121.81 176.36 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.923 0.392 . . . . 10.0 111.492 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mm -82.03 137.24 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.095 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.91 18.4 10.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.685 -0.689 . . . . 10.0 112.151 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.482 ' CG ' ' HZ3' ' A' ' 49' ' ' LYS . 33.0 t0 -87.17 153.24 21.66 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.498 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -83.65 125.61 32.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.578 0.704 . . . . 10.0 112.802 -178.776 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' B' ' 3' ' ' HIS . 24.4 m -110.69 145.27 17.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.422 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -92.44 96.27 10.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.911 0.386 . . . . 10.0 110.693 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.6 mt -85.61 126.17 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.143 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -130.09 148.53 51.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.589 HD11 HD21 ' B' ' 25' ' ' LEU . 26.4 tp -104.64 94.3 5.23 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HB ' HG13 ' A' ' 43' ' ' ILE . 93.2 t -104.54 109.71 28.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.28 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.24 44.09 19.33 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.121 0.785 . . . . 10.0 113.121 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.33 15.68 77.1 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.213 -0.518 . . . . 10.0 113.211 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -116.68 138.89 51.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.572 0.225 . . . . 10.0 110.584 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -79.51 103.0 9.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.097 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG13 ' HB ' ' A' ' 38' ' ' VAL . 28.6 mm -98.35 92.14 2.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.996 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.822 HD13 HD13 ' B' ' 44' ' ' ILE . 4.4 mp -92.35 106.35 17.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.655 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.463 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 28.4 tt0 -118.63 111.39 37.85 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.505 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HA ' HG12 ' A' ' 33' ' ' VAL . 22.5 Cg_endo -63.13 136.84 58.3 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.498 2.132 . . . . 10.0 111.222 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 t -77.02 94.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -50.55 120.32 4.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.226 -0.897 . . . . 10.0 112.184 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HZ3' ' CG ' ' A' ' 31' ' ' ASP . 46.6 mmtm -91.5 96.91 10.75 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.463 -0.79 . . . . 10.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.415 -0.803 . . . . 10.0 110.219 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 112.302 -0.319 . . . . 10.0 112.302 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 29.5 mt -100.65 130.3 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' HIS . . . . . 0.545 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 14.3 m-70 -101.1 104.13 15.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.976 0.417 . . . . 10.0 111.273 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -113.6 153.14 29.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.442 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 3.6 m -89.35 137.73 32.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.665 0.269 . . . . 10.0 111.157 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 t -75.93 98.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 10.0 109.938 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -74.61 170.9 14.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.783 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -120.93 110.24 16.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.923 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.408 ' HZ2' ' N7 ' ' Y' ' 8' ' ' ' DA' . 9.8 t90 -105.78 109.18 21.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.401 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.57 -60.45 4.74 Favored Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.587 -1.005 . . . . 10.0 110.587 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -168.9 -43.59 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.97 135.87 70.23 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.293 -0.867 . . . . 10.0 110.6 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -64.95 144.82 84.04 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.45 2.1 . . . . 10.0 111.167 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.68 140.8 33.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.882 0.373 . . . . 10.0 111.345 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 88.3 t -94.86 127.66 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ARG . . . . . 0.466 ' NH1' H2'' ' X' ' 4' ' ' ' DG' . 11.6 mmt85 -78.55 126.57 30.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.722 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 72.5 mt -122.46 130.73 24.55 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.899 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' PRO . . . . . 0.763 ' HG2' ' HB2' ' B' ' 21' ' ' LEU . 19.1 Cg_endo -61.43 137.27 68.85 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.514 2.143 . . . . 10.0 111.511 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.86 -29.88 70.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.084 0.469 . . . . 10.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -34.1 77.34 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.423 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.763 ' HB2' ' HG2' ' B' ' 18' ' ' PRO . 0.3 OUTLIER -72.26 -32.85 67.03 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.021 179.312 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.495 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 68.3 mmm -62.06 -42.15 98.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.95 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -69.05 -27.48 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.612 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.39 -31.98 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.04 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.589 HD21 HD11 ' A' ' 37' ' ' LEU . 93.4 mt -92.8 -6.3 49.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.034 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 57.8 t30 71.27 63.01 0.16 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.357 -0.838 . . . . 10.0 113.255 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.637 HD13 ' HB3' ' B' ' 46' ' ' PRO . 0.8 OUTLIER -158.91 157.34 31.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.236 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.29 -166.78 1.67 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.882 0.372 . . . . 10.0 111.703 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -71.9 150.81 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.858 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.6 t70 74.62 6.22 4.49 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.267 0.627 . . . . 10.0 112.551 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -81.84 159.17 23.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -102.49 131.15 49.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.34 0.59 . . . . 10.0 111.516 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.9 m -113.82 138.71 42.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -88.09 98.47 11.56 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 mt -77.9 98.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.76 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.429 ' HB3' ' HB ' ' B' ' 43' ' ' ILE . 1.1 t0 -96.68 165.46 12.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.447 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 tp -133.5 99.11 4.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.32 100.89 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.205 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 56.59 61.78 2.54 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.819 0.699 . . . . 10.0 111.579 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.62 45.63 93.03 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.965 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -143.72 129.66 19.5 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.3 mt -76.93 105.72 8.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.37 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' B' ' 36' ' ' ASP . 25.2 mm -102.57 94.08 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.015 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.822 HD13 HD13 ' A' ' 44' ' ' ILE . 2.3 mp -87.19 110.63 20.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.025 0.44 . . . . 10.0 110.599 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.81 106.21 44.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.619 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.637 ' HB3' HD13 ' B' ' 27' ' ' LEU . 36.8 Cg_endo -66.7 144.68 72.84 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.58 2.187 . . . . 10.0 111.51 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.01 104.11 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.922 0.392 . . . . 10.0 110.563 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.554 ' HD3' ' OE2' ' B' ' 50' ' ' GLU . 9.9 ptp180 -53.74 124.43 15.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.635 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -87.65 70.52 9.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.807 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.554 ' OE2' ' HD3' ' B' ' 48' ' ' ARG . 38.7 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.55 -0.738 . . . . 10.0 109.927 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 1' ' ' ' DC' . . . . . 0.732 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.03 0 C3'-C2'-C1' 99.667 -2.167 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.129 0 C3'-C2'-C1' 99.289 -2.437 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 3' ' ' ' DT' . . . . . 0.84 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.07 0 C3'-C2'-C1' 98.594 -2.933 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 4' ' ' ' DG' . . . . . 0.84 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.137 0 C3'-C2'-C1' 99.34 -2.4 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 5' ' ' ' DA' . . . . . 0.517 ' OP2' H2'' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.925 0 O4'-C1'-C2' 103.609 -2.265 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.91 0 C3'-C2'-C1' 99.59 -2.221 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.906 0 C3'-C2'-C1' 99.678 -2.159 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 8' ' ' ' DT' . . . . . 0.572 H2'' ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.148 0 C3'-C2'-C1' 99.479 -2.301 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 9' ' ' ' DA' . . . . . 0.615 " H2'" ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.925 0 C3'-C2'-C1' 99.587 -2.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 10' ' ' ' DT' . . . . . 0.413 H2'' ' C8 ' ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.108 0 C3'-C2'-C1' 99.569 -2.236 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 11' ' ' ' DA' . . . . . 0.549 H2'' ' OP2' ' X' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 O4'-C1'-C2' 103.788 -2.102 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 12' ' ' ' DG' . . . . . 0.549 ' OP2' H2'' ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.027 0 C3'-C2'-C1' 99.195 -2.504 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 13' ' ' ' DT' . . . . . 0.633 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.026 0 C3'-C2'-C1' 99.249 -2.465 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 14' ' ' ' DG' . . . . . 0.633 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.014 0 C3'-C2'-C1' 99.632 -2.192 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-C1' 99.587 -2.223 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.666 ' OP2' ' H8 ' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 99.563 -2.241 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.66 ' C5 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 O4'-C1'-C2' 103.714 -2.169 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.593 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.988 0 O4'-C1'-C2' 103.638 -2.239 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.717 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.058 0 O4'-C1'-C2' 103.694 -2.187 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.717 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.902 0 C3'-C2'-C1' 99.406 -2.353 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.444 ' OP2' H2'' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.052 0 O4'-C1'-C2' 103.641 -2.235 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.549 " O5'" ' HE3' ' A' ' 7' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-C1' 99.61 -2.207 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.464 ' OP2' H2'' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.025 0 O4'-C1'-C2' 103.701 -2.181 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.544 H2'' ' C8 ' ' Y' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 C3'-C2'-C1' 99.743 -2.112 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 10' ' ' ' DA' . . . . . 0.647 ' H62' ' HA2' ' A' ' 10' ' ' GLY . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.689 -2.151 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.991 0 C3'-C2'-C1' 99.558 -2.244 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.851 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.208 0 C3'-C2'-C1' 98.946 -2.681 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.851 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.949 0 C3'-C2'-C1' 99.321 -2.413 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.062 0 C3'-C2'-C1' 99.33 -2.407 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.732 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.015 0 O4'-C1'-C2' 103.67 -2.209 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.81 0.338 . . . . 10.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.0 p -122.72 146.29 47.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.95 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.47 115.09 25.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.65 91.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.561 ' HB2' ' HH2' ' B' ' 9' ' ' TRP . 72.2 mmtt -81.86 -179.44 7.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.852 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -101.11 108.04 19.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.114 0.483 . . . . 10.0 112.01 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -83.6 87.75 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.63 -92.76 1.22 Allowed Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 109.733 -1.347 . . . . 10.0 109.733 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -126.43 -11.6 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.603 0.24 . . . . 10.0 110.952 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 m -112.92 142.73 27.77 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.62 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 58.6 Cg_endo -74.5 149.56 39.41 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.595 2.197 . . . . 10.0 111.267 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.02 133.21 23.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.01 0.433 . . . . 10.0 111.978 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.1 t -82.95 108.08 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 16' ' ' ARG . 36.3 ttm180 -65.31 121.88 15.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.435 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -109.08 105.28 56.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.773 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -55.37 145.42 67.55 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 122.761 2.307 . . . . 10.0 112.397 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -26.92 63.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.649 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.1 m -60.86 -37.16 81.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.998 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.81 -31.2 56.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.519 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 9.3 mtm -60.89 -48.36 82.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.996 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -65.54 -32.44 74.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.176 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -56.56 20.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.088 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.651 ' HB2' HD23 ' A' ' 27' ' ' LEU . 94.0 mt -87.89 1.67 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.741 0.305 . . . . 10.0 111.633 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 62.45 44.07 7.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.69 0.757 . . . . 10.0 111.787 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -110.58 161.79 15.37 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 179.058 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -137.95 -172.25 3.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.837 0.351 . . . . 10.0 111.564 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.515 HG21 ' HB2' ' B' ' 8' ' ' ARG . 7.4 mm -75.58 154.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 67.44 29.14 7.47 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -100.59 172.71 6.93 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.874 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -113.54 126.45 55.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.319 0.58 . . . . 10.0 111.397 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 46' ' ' PRO . 25.5 m -119.52 139.9 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HB3' ' HG3' ' A' ' 45' ' ' GLU . 24.6 ttmt -85.07 107.5 17.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.636 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.5 mt -83.64 96.41 4.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.574 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 3.0 t70 -101.21 159.05 15.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.936 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.607 HD21 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -115.78 93.72 4.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.1 t -125.9 133.66 68.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.304 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.25 23.56 13.13 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.771 -0.649 . . . . 10.0 111.728 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.21 17.97 76.28 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.836 -0.697 . . . . 10.0 111.686 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.584 ' HD3' ' HB3' ' B' ' 45' ' ' GLU . 80.4 mttt -123.53 168.24 12.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.764 0.316 . . . . 10.0 110.464 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.746 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 77.6 mt -90.88 114.26 26.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.145 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 36' ' ' ASP . 46.5 mm -92.6 106.3 17.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 48.7 mm -105.28 108.14 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.062 0.458 . . . . 10.0 111.009 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 3.7 pt-20 -125.62 128.5 24.62 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.848 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 12.5 Cg_exo -72.1 116.18 4.61 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.018 2.479 . . . . 10.0 111.51 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.651 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.906 0.384 . . . . 10.0 111.607 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.8 t -90.14 114.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -100.75 174.37 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.66 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.515 ' HB2' HG21 ' A' ' 29' ' ' ILE . 2.9 ttm180 -87.98 133.78 33.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.207 0.527 . . . . 10.0 112.108 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.561 ' HH2' ' HB2' ' A' ' 7' ' ' LYS . 6.9 t90 -106.92 83.71 1.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.299 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.44 -71.26 2.52 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.827 -0.701 . . . . 10.0 111.367 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -132.85 -50.68 0.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.035 0.445 . . . . 10.0 110.531 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 1.3 m -95.0 148.79 35.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.151 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.519 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 61.4 Cg_endo -73.38 159.57 46.41 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.538 2.158 . . . . 10.0 112.064 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -146.27 133.63 20.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.528 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.8 t -81.71 107.04 13.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.114 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -68.57 114.99 7.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.9 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 50.1 mm -104.61 122.14 44.64 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.061 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -51.22 127.06 20.79 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.549 2.166 . . . . 10.0 111.527 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.45 -29.66 61.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -33.24 75.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.953 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.12 -30.12 34.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.779 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.569 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 64.3 mmm -60.63 -35.92 77.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.415 0.626 . . . . 10.0 110.44 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.65 -27.97 64.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.657 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.87 -37.27 70.23 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.88 0.371 . . . . 10.0 111.03 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 37' ' ' LEU . 86.7 mt -83.32 -7.78 59.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.693 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 t30 63.72 56.52 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.338 -0.846 . . . . 10.0 112.721 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.409 HD23 ' O ' ' B' ' 22' ' ' MET . 1.5 pt? -138.93 170.5 15.88 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -139.94 -164.14 1.64 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.779 0.323 . . . . 10.0 111.762 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -74.53 146.4 9.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 78.29 9.93 2.04 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.929 0.768 . . . . 10.0 111.719 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -71.15 143.47 50.54 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -98.32 99.12 10.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.289 0.566 . . . . 10.0 111.412 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' B' ' 46' ' ' PRO . 15.7 m -89.32 134.09 29.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.354 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -89.87 109.77 20.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.684 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.85 106.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -117.43 140.49 49.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.454 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' B' ' 37' ' ' LEU . 3.7 mm? -83.44 106.48 15.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.176 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.568 ' HB ' HG13 ' B' ' 43' ' ' ILE . 61.3 t -133.64 130.68 56.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 59.09 24.22 12.51 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.02 18.89 79.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.63 -0.795 . . . . 10.0 112.811 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -130.92 166.89 19.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.546 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 88.8 mt -90.31 108.04 19.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.028 0.442 . . . . 10.0 111.629 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.568 HG13 ' HB ' ' B' ' 38' ' ' VAL . 44.7 mm -89.59 105.52 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.746 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 24.9 mm -97.05 100.21 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.317 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.584 ' HB3' ' HD3' ' A' ' 41' ' ' LYS . 4.3 pt-20 -112.99 119.96 41.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.163 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 23.5 Cg_exo -66.3 121.24 8.49 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.885 2.39 . . . . 10.0 111.318 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 67.0 t . . . . . 0 C--N 1.322 -0.615 0 CA-C-O 121.016 0.436 . . . . 10.0 110.993 -179.371 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.838 0.351 . . . . 10.0 110.966 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 m -99.02 143.42 29.32 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.269 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.13 123.79 29.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.83 96.7 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.001 0.429 . . . . 10.0 109.99 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.452 ' HB2' ' HH2' ' B' ' 9' ' ' TRP . 63.6 mmtt -85.37 -178.86 6.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.572 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -105.66 119.07 38.2 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 10.0 111.288 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -84.6 90.03 7.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.645 -1.243 . . . . 10.0 107.645 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.42 -90.33 0.83 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.555 -0.831 . . . . 10.0 111.298 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -128.34 -0.68 5.68 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.433 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.7 p -126.21 149.38 66.72 Favored Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 110.482 -0.192 . . . . 10.0 110.482 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.566 ' HG2' ' HG3' ' B' ' 22' ' ' MET . 22.8 Cg_exo -66.56 143.18 67.73 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.924 2.416 . . . . 10.0 112.697 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HB2' ' HG2' ' B' ' 16' ' ' ARG . . . -141.55 129.2 21.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.906 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.89 123.91 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.066 -0.516 . . . . 10.0 109.936 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.42 HH12 ' HB3' ' B' ' 9' ' ' TRP . 4.5 mmt180 -71.39 109.59 5.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.68 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.5 mt -119.88 103.56 45.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.11 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -53.92 147.42 42.42 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 123.263 2.642 . . . . 10.0 112.512 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.66 -22.95 66.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.442 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.5 -39.24 76.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.646 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.03 -34.85 59.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.671 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.8 mmm -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.433 -0.803 . . . . 10.0 110.643 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -68.75 -34.74 76.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.935 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.6 -35.49 75.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.243 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -92.14 -4.37 54.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.14 0.495 . . . . 10.0 111.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 66.0 61.76 0.62 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -142.64 141.79 31.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.934 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 4.3 t-20 -113.49 -168.7 1.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.294 -178.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.5 mm -68.49 146.23 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.249 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t0 72.3 18.07 4.73 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.652 0.595 . . . . 10.0 111.678 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 2.7 t70 -81.03 145.85 30.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.215 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -90.21 124.96 35.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.423 0.63 . . . . 10.0 111.165 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.6 m -118.37 136.44 55.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.326 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HE2' ' HB3' ' A' ' 45' ' ' GLU . 20.5 ttpt -89.13 105.6 17.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.67 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.4 mt -83.91 97.41 4.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.46 157.23 16.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.293 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.2 tp -116.99 105.08 11.93 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -126.31 125.51 67.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.971 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t0 58.28 33.71 23.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.131 0.491 . . . . 10.0 111.946 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.24 21.29 73.88 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.373 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HD2' ' HG3' ' B' ' 45' ' ' GLU . 0.1 OUTLIER -119.9 147.32 44.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.656 0.265 . . . . 10.0 110.528 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.448 HD13 HD13 ' B' ' 17' ' ' ILE . 68.9 mt -80.97 110.55 16.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.178 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.7 mm -102.04 97.45 5.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.192 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.805 HD13 HD13 ' B' ' 44' ' ' ILE . 3.6 mp -90.3 99.4 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 16.2 tt0 -107.74 109.14 62.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.205 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.61 145.14 41.24 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.197 1.931 . . . . 10.0 111.651 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.1 t . . . . . 0 C--N 1.325 -0.497 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.503 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 6.1 p . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.062 0.458 . . . . 10.0 112.114 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.507 HG22 HG22 ' B' ' 15' ' ' VAL . 12.2 t -81.77 107.35 13.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.403 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.0 mmtt -95.72 170.95 8.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.07 0.462 . . . . 10.0 111.307 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' B' ' 8' ' ' ARG . 5.5 ttt180 -90.17 112.67 24.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.729 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.452 ' HH2' ' HB2' ' A' ' 7' ' ' LYS . 5.1 t90 -92.64 82.6 4.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.941 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.12 -80.26 1.4 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.311 -0.716 . . . . 10.0 111.311 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -111.05 -71.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.135 0.493 . . . . 10.0 110.031 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -88.62 156.93 50.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.469 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.54 173.04 12.26 Favored 'Trans proline' 0 C--O 1.238 0.497 0 C-N-CA 122.714 2.276 . . . . 10.0 113.331 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.34 152.36 10.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.2 -0.909 . . . . 10.0 109.601 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.507 HG22 HG22 ' B' ' 6' ' ' VAL . 91.2 t -106.9 120.2 57.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.751 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.457 ' HG2' ' HB2' ' A' ' 14' ' ' ALA . 79.5 mtm-85 -83.91 133.27 34.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.205 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.448 HD13 HD13 ' A' ' 42' ' ' LEU . 89.7 mt -126.74 124.14 24.02 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.662 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -42.1 134.42 4.25 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.797 2.998 . . . . 10.0 113.236 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.75 -27.38 59.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.419 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . 0.439 ' HA ' ' OE1' ' B' ' 23' ' ' GLN . 5.2 p -59.71 -37.76 79.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.208 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' B' ' 21' ' ' LEU . 3.6 mm? -71.3 -34.53 70.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.533 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.566 ' HG3' ' HG2' ' A' ' 13' ' ' PRO . 35.9 mmm -63.88 -39.85 95.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.091 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.439 ' OE1' ' HA ' ' B' ' 20' ' ' THR . 53.4 mt-30 -67.91 -33.13 74.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.668 -0.697 . . . . 10.0 110.626 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.7 -34.41 60.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 mt -86.29 -10.88 53.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.779 0.659 . . . . 10.0 112.779 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 61.9 t30 73.39 63.93 0.09 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.383 0.611 . . . . 10.0 112.536 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -152.81 160.08 43.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.55 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 2.3 t-20 -134.65 -166.76 1.86 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.799 -0.361 . . . . 10.0 111.509 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.8 mm -69.29 140.29 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.691 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 75.77 19.24 2.01 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.843 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 0.3 OUTLIER -83.26 131.79 35.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.149 178.606 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.436 ' H ' ' HG3' ' B' ' 32' ' ' GLU . 0.0 OUTLIER -84.4 119.04 24.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.109 0.48 . . . . 10.0 110.488 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' B' ' 46' ' ' PRO . 21.6 m -106.66 143.94 16.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.7 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.485 ' HE3' ' HB3' ' B' ' 34' ' ' LYS . 11.1 ttpp -89.21 101.23 13.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.543 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -77.76 101.12 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.51 136.34 47.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.573 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 tp -101.31 91.04 4.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.043 0.449 . . . . 10.0 109.946 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.529 ' HB ' HG13 ' B' ' 43' ' ' ILE . 89.9 t -100.95 122.78 53.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.527 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 60.55 26.36 16.03 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.842 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.34 17.5 77.8 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.461 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.05 148.99 41.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.735 0.303 . . . . 10.0 110.87 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -81.08 100.4 9.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.738 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.529 HG13 ' HB ' ' B' ' 38' ' ' VAL . 20.6 mm -99.74 102.56 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.844 -0.617 . . . . 10.0 109.374 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.805 HD13 HD13 ' A' ' 44' ' ' ILE . 1.9 mp -88.9 107.99 18.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.263 0.554 . . . . 10.0 110.507 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.436 ' HG3' ' HD2' ' A' ' 41' ' ' LYS . 20.3 tt0 -110.46 105.08 56.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.121 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.446 ' HA ' HG12 ' B' ' 33' ' ' VAL . 55.7 Cg_endo -71.4 142.69 41.42 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.252 1.968 . . . . 10.0 111.445 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--N 1.325 -0.5 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.251 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.3 m -138.54 143.15 39.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.723 0.297 . . . . 10.0 111.521 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.83 125.6 39.6 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.883 0.373 . . . . 10.0 111.263 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -77.46 112.41 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.44 . . . . 10.0 109.876 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -91.05 177.22 6.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.83 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -100.28 116.74 32.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.836 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.656 ' HH2' ' HB2' ' B' ' 7' ' ' LYS . 4.6 t90 -90.9 84.93 5.85 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.34 -65.88 3.56 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -144.47 -41.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.2 0.524 . . . . 10.0 109.926 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -91.36 136.57 26.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.224 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 36.1 Cg_endo -64.99 152.2 83.21 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.651 2.234 . . . . 10.0 112.063 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.95 139.55 30.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.126 0.489 . . . . 10.0 111.881 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.9 t -94.56 111.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.011 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -66.3 127.29 31.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.426 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.0 mm -105.96 121.9 44.2 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.074 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.58 124.88 17.36 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.57 2.18 . . . . 10.0 112.075 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.79 -30.32 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.329 0.585 . . . . 10.0 110.531 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -40.8 89.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.414 -0.812 . . . . 10.0 109.801 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.2 -32.21 66.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.417 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.0 mmm -59.24 -44.39 92.35 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.557 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -69.51 -32.56 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.452 -0.795 . . . . 10.0 110.717 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.94 45.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.12 -16.99 63.19 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.4 t30 74.19 60.42 0.08 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.53 162.1 36.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.933 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -126.02 176.08 7.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.565 0.221 . . . . 10.0 110.806 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.7 146.33 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.265 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.53 20.53 3.1 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.023 0.529 . . . . 10.0 112.185 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.57 ' O ' ' HA ' ' B' ' 5' ' ' SER . 19.5 t70 -76.93 139.14 40.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.72 100.9 12.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.006 0.432 . . . . 10.0 111.493 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 46' ' ' PRO . 27.4 m -94.64 138.05 21.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.101 0.477 . . . . 10.0 110.435 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HE3' ' HB3' ' A' ' 34' ' ' LYS . 15.3 ttpp -91.45 95.17 9.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mt -70.99 109.27 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.97 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.85 147.97 33.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.541 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.493 HD11 HD21 ' B' ' 25' ' ' LEU . 0.6 OUTLIER -105.29 100.19 9.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.511 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.7 t -122.8 120.82 61.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.565 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.38 23.37 13.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.92 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.29 18.04 78.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.803 -0.713 . . . . 10.0 111.603 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.572 ' HD3' ' HG2' ' B' ' 45' ' ' GLU . 73.6 mttt -117.32 150.4 38.88 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.804 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 81.7 mt -87.28 107.95 18.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.526 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.424 HG22 ' HG3' ' A' ' 45' ' ' GLU . 21.4 mm -93.46 107.32 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.64 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.666 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 45.9 mm -93.73 102.41 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.358 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.552 ' HG2' ' HD2' ' B' ' 41' ' ' LYS . 48.9 mt-10 -117.45 111.61 39.81 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.386 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.436 ' HA ' HG12 ' A' ' 33' ' ' VAL . 37.9 Cg_endo -66.3 128.42 19.36 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.821 2.347 . . . . 10.0 112.28 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 t . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.297 0.57 . . . . 10.0 109.741 179.644 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.57 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.236 0.347 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.471 HG22 HG22 ' B' ' 15' ' ' VAL . 44.4 t -77.31 102.16 3.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.656 ' HB2' ' HH2' ' A' ' 9' ' ' TRP . 71.9 mmtt -84.51 172.82 11.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.407 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.502 ' HA ' ' HA ' ' B' ' 13' ' ' PRO . 60.6 ttt180 -98.44 117.75 33.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.176 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -90.3 81.24 6.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.154 0.502 . . . . 10.0 110.931 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 -65.95 2.98 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.244 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -126.86 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.645 0.259 . . . . 10.0 110.472 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 42.0 m -87.66 149.27 45.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.423 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.502 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 49.1 Cg_endo -69.95 155.86 64.28 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.624 2.216 . . . . 10.0 111.756 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.14 136.13 17.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.872 0.368 . . . . 10.0 111.046 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.471 HG22 HG22 ' B' ' 6' ' ' VAL . 56.9 t -86.14 113.77 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.431 ' HD2' HH11 ' B' ' 16' ' ' ARG . 27.4 ttm180 -72.99 120.0 18.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.638 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 47.2 mm -107.24 112.31 62.91 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -53.44 140.96 63.1 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.678 2.252 . . . . 10.0 111.784 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.64 -23.0 64.43 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.972 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -43.26 99.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.309 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' B' ' 21' ' ' LEU . 3.5 mm? -75.35 -32.4 60.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.915 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.415 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 74.8 mmm -59.53 -35.92 75.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.78 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -82.75 -6.71 59.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.778 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.3 -34.68 16.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.11 0.481 . . . . 10.0 110.361 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.493 HD21 HD11 ' A' ' 37' ' ' LEU . 80.8 mt -94.21 -14.71 25.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.244 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 62.5 t30 70.16 59.88 0.25 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.364 -0.835 . . . . 10.0 112.798 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -129.28 150.83 50.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.284 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 49.8 m-80 -113.5 -172.05 2.0 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -76.61 140.82 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.198 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 75.37 9.89 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.775 0.672 . . . . 10.0 111.737 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 0.6 OUTLIER -67.61 124.9 24.54 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.821 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -82.04 98.0 8.41 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.319 0.581 . . . . 10.0 111.991 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' B' ' 46' ' ' PRO . 22.7 m -90.48 164.15 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -105.26 120.55 41.82 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.441 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.3 mt -104.49 108.74 25.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -119.82 153.76 35.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.829 0.347 . . . . 10.0 110.761 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' B' ' 37' ' ' LEU . 3.9 mm? -98.56 97.15 8.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.489 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.781 ' HB ' HG13 ' B' ' 43' ' ' ILE . 41.8 t -123.56 135.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.04 -0.527 . . . . 10.0 109.932 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.472 ' HB3' ' HE2' ' B' ' 41' ' ' LYS . 7.4 t70 64.89 13.35 8.49 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.647 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.75 25.49 56.1 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.584 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.552 ' HD2' ' HG2' ' A' ' 45' ' ' GLU . 4.6 pttt -143.45 169.36 17.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.685 -0.303 . . . . 10.0 110.854 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.666 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 96.7 mt -82.76 111.42 18.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.409 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.781 HG13 ' HB ' ' B' ' 38' ' ' VAL . 32.8 mm -101.41 105.34 17.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.804 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 35.1 mm -89.79 100.42 10.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.925 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.572 ' HG2' ' HD3' ' A' ' 41' ' ' LYS . 43.8 mt-10 -103.32 114.5 64.94 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.613 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.54 ' HA ' HG12 ' B' ' 33' ' ' VAL . 38.4 Cg_endo -66.96 131.83 26.55 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.738 2.292 . . . . 10.0 112.043 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 120.919 0.39 . . . . 10.0 110.11 179.844 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 121.155 0.503 . . . . 10.0 111.541 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.0 m -149.27 163.98 36.14 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.55 136.47 54.89 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.731 0.3 . . . . 10.0 111.295 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.488 HG12 ' HB2' ' A' ' 13' ' ' PRO . 13.9 t -78.74 101.57 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -91.59 162.78 14.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.109 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 7.8 ttm180 -83.3 125.45 31.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.269 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -104.32 84.21 2.18 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.54 -62.34 4.35 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -138.98 -65.09 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.393 . . . . 10.0 110.06 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -80.46 143.85 56.22 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.396 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HB2' HG12 ' A' ' 6' ' ' VAL . 56.1 Cg_endo -71.38 153.73 61.12 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.496 2.13 . . . . 10.0 111.376 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.43 145.68 31.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.211 0.529 . . . . 10.0 112.094 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 6' ' ' VAL . 48.0 t -98.5 123.07 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.357 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 16' ' ' ARG . 51.5 mtt180 -82.34 128.06 33.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.952 0.406 . . . . 10.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.7 mm -120.79 100.58 46.31 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.411 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.487 ' HD2' HD23 ' A' ' 21' ' ' LEU . 50.9 Cg_exo -55.18 159.48 9.93 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.791 2.327 . . . . 10.0 111.985 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.73 -28.76 16.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.584 0.957 . . . . 10.0 113.584 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -49.52 75.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.487 HD23 ' HD2' ' A' ' 18' ' ' PRO . 2.3 mm? -72.66 -32.29 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.27 -178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.591 ' HG3' ' HG2' ' B' ' 13' ' ' PRO . 92.9 mmm -61.92 -43.65 98.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.468 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -74.64 -24.86 58.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.796 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.54 -41.53 96.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.0 -12.3 28.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.914 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 69.74 51.52 0.45 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.037 0.836 . . . . 10.0 111.752 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -121.11 159.52 25.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.07 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -120.38 -166.68 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.083 0.468 . . . . 10.0 111.662 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 mm -78.03 149.7 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.45 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 69.19 18.89 8.08 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.241 0.616 . . . . 10.0 111.788 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' B' ' 5' ' ' SER . 7.1 t70 -73.93 145.47 44.69 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.8 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -93.02 98.03 11.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.288 0.566 . . . . 10.0 111.895 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 16.8 m -94.37 141.74 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.092 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 35.3 mtmt -97.51 121.43 39.4 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.6 mt -100.17 110.7 27.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.352 -0.385 . . . . 10.0 109.999 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -120.41 168.16 11.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.388 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD21 HD12 ' B' ' 21' ' ' LEU . 3.1 mm? -112.02 40.82 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.919 0.39 . . . . 10.0 111.768 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.775 ' HB ' HG13 ' A' ' 43' ' ' ILE . 25.1 t -69.01 131.31 33.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.384 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.69 ' HB3' ' HD3' ' A' ' 41' ' ' LYS . 9.2 t70 69.69 8.81 6.92 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.31 0.644 . . . . 10.0 112.204 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.87 24.69 54.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.862 -0.685 . . . . 10.0 113.299 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.69 ' HD3' ' HB3' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -136.43 170.86 15.36 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.665 -0.315 . . . . 10.0 110.307 179.165 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.93 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 85.9 mt -81.6 101.44 10.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.849 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.775 HG13 ' HB ' ' A' ' 38' ' ' VAL . 48.8 mm -87.6 107.56 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.899 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 18.5 mm -106.77 99.24 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.903 0.382 . . . . 10.0 111.015 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HG3' ' HE3' ' A' ' 34' ' ' LYS . 5.1 pt-20 -121.63 121.4 28.32 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.145 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . 93.8 Cg_endo -80.36 156.12 22.16 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.785 2.323 . . . . 10.0 111.833 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.0 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 19.8 m . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.971 0.415 . . . . 10.0 111.841 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 32.4 t -67.84 111.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.409 ' HG3' ' NH1' ' B' ' 16' ' ' ARG . 73.8 mmtt -98.46 -179.08 4.22 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.23 0.455 . . . . 10.0 112.23 -178.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -105.51 114.1 28.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 10.0 112.207 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -89.96 79.01 6.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.697 -1.223 . . . . 10.0 107.697 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.0 -55.58 4.8 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.52 -1.032 . . . . 10.0 110.52 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -152.13 -52.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . 0.452 ' HA ' ' HD3' ' B' ' 13' ' ' PRO . 0.8 OUTLIER -69.93 139.77 88.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.252 -0.886 . . . . 10.0 112.037 -179.363 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.591 ' HG2' ' HG3' ' A' ' 22' ' ' MET . 27.2 Cg_exo -66.07 133.28 32.7 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 123.052 2.502 . . . . 10.0 110.366 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.37 132.6 47.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.011 0.434 . . . . 10.0 111.895 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 38.9 t -93.68 113.06 27.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.522 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 16' ' ' ARG . 66.6 mtt180 -69.89 122.68 19.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.538 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 42.4 mm -106.83 118.55 53.93 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -50.52 124.27 12.96 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.907 2.405 . . . . 10.0 112.01 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.95 -30.48 66.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.966 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -40.33 86.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.761 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.426 HD12 HD21 ' A' ' 37' ' ' LEU . 3.7 mm? -71.84 -27.9 63.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.175 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.6 mmm -62.59 -27.87 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.502 0.668 . . . . 10.0 109.733 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -82.4 -10.93 58.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.442 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.45 -38.33 26.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 10.0 110.437 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 74.3 mt -90.89 -8.03 50.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.22 0.533 . . . . 10.0 109.698 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 52.4 t30 64.27 60.45 0.96 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.713 -1.131 . . . . 10.0 113.165 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -131.55 148.93 52.66 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 2.7 t-20 -108.5 -173.32 2.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.811 0.339 . . . . 10.0 110.598 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mm -75.39 149.68 6.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 76.23 4.83 3.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.933 0.493 . . . . 10.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 0.2 OUTLIER -71.99 133.4 45.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.54 179.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -74.03 129.81 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.987 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 m -123.26 144.03 34.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.268 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.1 113.07 25.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.341 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 54.7 mt -93.43 102.29 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.416 ' HB3' HG23 ' B' ' 38' ' ' VAL . 0.4 OUTLIER -114.6 130.68 56.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.313 -179.457 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.33 75.6 6.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.157 -0.474 . . . . 10.0 109.829 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.554 ' HB ' HG13 ' B' ' 43' ' ' ILE . 58.7 t -109.2 134.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.08 -178.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 66.92 24.77 9.58 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.943 0.72 . . . . 10.0 112.943 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.57 18.1 79.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.839 -0.696 . . . . 10.0 113.243 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -137.68 165.14 27.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.757 0.279 . . . . 10.0 110.539 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.899 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 56.4 mt -85.45 108.5 17.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.162 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.554 HG13 ' HB ' ' B' ' 38' ' ' VAL . 36.0 mm -95.93 102.17 13.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.93 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 30.9 mm -96.58 110.64 25.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.2 0.524 . . . . 10.0 110.79 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.501 ' HG2' ' HE3' ' A' ' 41' ' ' LYS . 27.6 mt-10 -111.11 127.58 26.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 17.5 Cg_exo -67.95 127.89 16.83 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.765 2.31 . . . . 10.0 111.35 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.324 -0.541 0 CA-C-O 120.909 0.385 . . . . 10.0 111.087 -179.448 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 . . . . . 0 N--CA 1.451 -0.401 0 CA-C-O 120.949 0.404 . . . . 10.0 110.786 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -121.9 142.93 49.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.503 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.12 138.65 31.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.504 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.5 t -94.29 131.24 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.884 0.373 . . . . 10.0 110.7 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -119.65 174.21 6.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.597 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 40.2 ttm105 -95.62 131.71 41.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.29 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.567 ' HB3' HH12 ' B' ' 16' ' ' ARG . 5.2 t90 -102.95 83.47 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.28 -83.33 1.61 Allowed Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.948 -0.861 . . . . 10.0 110.948 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -119.45 -52.55 2.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.425 . . . . 10.0 110.011 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 m -91.06 147.28 35.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.122 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.597 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 51.5 Cg_endo -68.45 167.89 21.19 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.703 2.269 . . . . 10.0 112.641 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.09 131.6 5.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.357 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.417 HG23 HD12 ' B' ' 17' ' ' ILE . 96.7 t -85.09 115.75 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.877 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -77.96 125.74 29.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.378 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.451 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 61.8 mt -119.73 125.33 27.48 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.149 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 17' ' ' ILE . 1.5 Cg_endo -46.59 132.3 16.23 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.668 2.912 . . . . 10.0 112.45 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.9 -30.89 66.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.661 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -33.66 76.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.691 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.29 -30.27 60.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.688 ' HG3' ' HG3' ' B' ' 13' ' ' PRO . 22.7 mmm -63.28 -36.96 85.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.425 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.58 -29.37 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -16.94 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.771 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 26.7 mt -103.92 -3.49 24.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.557 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.9 t30 65.79 9.95 6.43 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.536 0.939 . . . . 10.0 113.536 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -91.72 165.63 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.666 -0.414 . . . . 10.0 110.655 179.819 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -128.47 -172.47 2.71 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.692 0.282 . . . . 10.0 111.118 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' B' ' 8' ' ' ARG . 28.3 mm -75.79 147.27 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t70 76.83 3.28 3.39 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.626 0.579 . . . . 10.0 111.423 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.96 165.86 24.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.308 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -107.84 139.6 42.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.286 0.565 . . . . 10.0 111.139 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 46' ' ' PRO . 11.9 m -123.27 136.02 61.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.811 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -89.59 98.58 11.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.806 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.498 HG12 HG13 ' A' ' 44' ' ' ILE . 59.3 mt -77.94 111.73 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.127 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.23 126.57 52.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.292 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 tp -90.02 85.21 6.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.495 -0.558 . . . . 10.0 109.495 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t -109.62 128.49 65.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.142 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t0 61.94 20.47 11.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.811 -0.631 . . . . 10.0 112.543 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.95 12.48 82.59 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.818 -0.706 . . . . 10.0 112.534 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.36 150.58 37.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.984 0.421 . . . . 10.0 110.375 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.566 HD13 HD13 ' B' ' 17' ' ' ILE . 88.3 mt -82.17 97.79 8.39 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.307 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.9 mm -93.06 95.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.498 HG13 HG12 ' A' ' 35' ' ' ILE . 2.7 mp -86.21 108.72 17.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.522 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 30.4 tt0 -112.58 105.73 55.89 Favored Pre-proline 0 N--CA 1.451 -0.424 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.761 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.49 ' HA ' HG12 ' A' ' 33' ' ' VAL . 34.4 Cg_endo -65.03 145.08 84.4 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.648 2.232 . . . . 10.0 111.665 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 121.124 0.488 . . . . 10.0 109.844 179.781 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.839 0.352 . . . . 10.0 111.049 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 t -83.82 93.0 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -82.84 164.14 20.74 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.94 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.527 ' HB2' HG21 ' A' ' 29' ' ' ILE . 17.5 ttm180 -90.52 106.88 18.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.834 -179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -84.51 80.63 9.17 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.777 -1.194 . . . . 10.0 107.777 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.55 -58.61 4.87 Favored Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -159.18 -47.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 11.7 m -75.71 128.76 83.04 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.334 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.688 ' HG3' ' HG3' ' A' ' 22' ' ' MET . 56.4 Cg_endo -71.2 150.12 58.94 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.772 2.314 . . . . 10.0 112.173 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.73 137.66 38.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.623 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.438 HG11 HG12 ' A' ' 44' ' ' ILE . 44.0 t -80.0 125.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.406 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.567 HH12 ' HB3' ' A' ' 9' ' ' TRP . 6.4 mmt-85 -73.59 93.22 2.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.951 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.566 HD13 HD13 ' A' ' 42' ' ' LEU . 78.0 mt -107.21 111.97 63.11 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.944 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.583 ' HG2' HD23 ' B' ' 21' ' ' LEU . 19.3 Cg_endo -59.67 146.13 96.22 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.911 2.407 . . . . 10.0 111.968 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.88 -26.24 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.053 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -39.0 81.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.009 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.583 HD23 ' HG2' ' B' ' 18' ' ' PRO . 3.7 mm? -73.07 -35.11 66.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.468 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.8 mmm -62.11 -40.56 96.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.106 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -65.84 -33.29 75.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.704 . . . . 10.0 111.382 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.88 64.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.3 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 68.4 mt -93.7 -10.06 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.25 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 70.31 36.2 1.86 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.41 161.74 21.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -139.65 -165.14 1.82 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 mm -70.61 148.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.111 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 75.14 5.59 4.24 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -82.0 169.12 17.12 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -114.88 143.85 44.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.067 0.46 . . . . 10.0 110.455 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' B' ' 46' ' ' PRO . 16.4 m -124.37 139.38 50.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.826 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -92.63 92.15 7.87 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 50.3 mt -75.76 109.38 9.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.023 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -104.94 139.87 39.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.13 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 tp -101.67 85.82 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.272 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.5 t -91.57 111.24 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.817 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 63.03 12.16 5.71 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.847 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.02 5.92 54.41 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.728 -0.748 . . . . 10.0 112.208 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.39 147.43 23.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.648 0.261 . . . . 10.0 110.305 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 95.1 mt -83.2 93.18 7.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.419 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 18.4 mm -92.42 91.19 3.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.413 HD12 HD13 ' A' ' 44' ' ' ILE . 55.2 mt -84.37 95.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.107 0.479 . . . . 10.0 110.394 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -104.95 107.54 58.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.787 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' B' ' 33' ' ' VAL . 44.8 Cg_endo -67.73 157.27 62.53 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.75 2.3 . . . . 10.0 112.371 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 77.9 t . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.251 179.283 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 m170 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.181 0.515 . . . . 10.0 111.202 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.8 m -88.43 144.92 26.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.796 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -87.77 132.31 34.2 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 t -90.45 102.07 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.434 ' HB2' ' HH2' ' B' ' 9' ' ' TRP . 65.6 mmtt -104.03 173.79 6.15 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.441 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -102.32 119.27 38.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.949 0.404 . . . . 10.0 111.662 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -115.65 104.82 12.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.3 -73.9 2.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.745 -0.741 . . . . 10.0 111.701 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -147.72 -54.87 0.22 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.78 149.39 63.68 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.278 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.527 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 38.3 Cg_endo -68.53 150.43 75.17 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.631 2.221 . . . . 10.0 111.275 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.526 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -134.86 130.1 35.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.959 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.2 t -95.81 125.07 48.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.788 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -81.14 126.4 31.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.115 0.483 . . . . 10.0 111.378 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.3 mt -113.94 124.49 30.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.885 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.71 ' HG2' HD23 ' A' ' 21' ' ' LEU . 12.0 Cg_endo -55.45 140.4 82.73 Favored 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.784 2.323 . . . . 10.0 112.011 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.71 54.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.938 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -34.7 74.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.241 -0.436 . . . . 10.0 112.118 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.71 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.5 mm? -73.25 -31.61 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 10.0 110.806 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.444 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 57.0 mtm -65.53 -37.71 87.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.39 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -74.77 -15.93 60.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.31 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.72 -46.19 10.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.804 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.43 ' HB2' HD23 ' A' ' 27' ' ' LEU . 41.6 mt -88.84 -12.66 41.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.513 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.24 68.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.428 0.633 . . . . 10.0 111.727 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -127.83 148.25 50.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.056 178.503 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -111.59 177.28 4.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.951 0.405 . . . . 10.0 111.944 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mm -77.35 143.32 13.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.45 12.55 5.59 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.689 0.618 . . . . 10.0 111.62 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -79.29 164.56 24.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -106.25 128.39 53.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.312 0.577 . . . . 10.0 111.944 -179.302 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 m -113.31 140.04 35.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.399 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 23.0 ttpt -91.34 100.82 13.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.412 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.471 HG12 HG13 ' A' ' 44' ' ' ILE . 62.2 mt -82.7 113.53 22.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.681 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -112.38 163.22 14.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.061 -0.518 . . . . 10.0 109.703 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.431 HD11 HD21 ' B' ' 25' ' ' LEU . 17.5 tp -123.98 107.29 11.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.144 0.497 . . . . 10.0 110.554 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -127.93 125.45 64.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.313 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 62.97 21.23 12.77 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.614 0.721 . . . . 10.0 111.505 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.41 12.56 84.16 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.773 -0.727 . . . . 10.0 111.777 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.92 145.37 31.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 110.418 -0.215 . . . . 10.0 110.418 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.1 mt -80.01 103.37 9.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.229 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.8 mm -96.06 92.93 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.087 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.87 HD13 HD13 ' B' ' 44' ' ' ILE . 3.5 mp -88.47 100.72 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.298 0.57 . . . . 10.0 109.783 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 33.5 tt0 -105.85 111.6 64.54 Favored Pre-proline 0 N--CA 1.448 -0.554 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.359 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.54 129.67 18.25 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.599 2.199 . . . . 10.0 111.173 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 t . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 179.388 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.451 ' HB2' ' HE2' ' B' ' 7' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.425 0 CA-C-O 120.867 0.365 . . . . 10.0 111.145 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 11.3 t -78.96 78.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.451 ' HE2' ' HB2' ' B' ' 5' ' ' SER . 74.8 mmtt -69.78 155.72 40.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.837 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 8' ' ' ARG . 33.6 ttt180 -93.63 111.24 22.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.521 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . 0.434 ' HH2' ' HB2' ' A' ' 7' ' ' LYS . 3.7 t90 -83.82 74.74 10.16 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.73 -57.4 4.93 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.64 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -146.55 -49.28 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.872 0.367 . . . . 10.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.58 149.67 65.02 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.277 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.444 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 93.6 Cg_endo -80.12 146.88 18.26 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.627 2.218 . . . . 10.0 112.412 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.526 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -141.8 134.42 28.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.778 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -95.39 132.17 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.02 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -82.16 127.09 32.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.47 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 77.2 mt -122.39 119.04 28.57 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.528 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.23 137.2 70.46 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.951 2.434 . . . . 10.0 112.421 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.27 -31.7 70.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.473 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -28.18 68.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.887 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.91 -35.64 23.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.138 0.494 . . . . 10.0 110.114 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.527 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 36.1 mmm -61.27 -48.13 82.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.891 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -68.27 -21.02 64.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.498 -0.774 . . . . 10.0 111.069 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.71 -35.94 67.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.431 HD21 HD11 ' A' ' 37' ' ' LEU . 48.1 mt -90.48 -7.16 53.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.654 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 t30 74.62 16.7 3.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.218 1.192 . . . . 10.0 114.218 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' B' ' 46' ' ' PRO . 0.8 OUTLIER -94.39 153.39 17.99 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.687 -0.405 . . . . 10.0 109.932 178.709 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.74 -174.54 2.95 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 27.2 mm -72.63 150.18 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.6 t70 77.85 0.17 2.76 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.599 0.714 . . . . 10.0 111.445 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.76 165.25 25.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.906 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -110.43 131.39 55.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.802 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.464 ' HB ' HG23 ' B' ' 44' ' ' ILE . 8.0 m -111.51 131.54 62.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 10.0 111.266 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.489 ' HE3' ' HB3' ' B' ' 34' ' ' LYS . 22.5 ttpp -85.36 92.88 8.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.376 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.621 HG12 HG13 ' B' ' 44' ' ' ILE . 60.2 mt -78.84 118.21 25.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.03 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -122.82 144.65 49.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.344 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 25.6 tp -95.19 86.88 4.69 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.866 ' HB ' HG13 ' B' ' 43' ' ' ILE . 93.2 t -105.29 126.19 60.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.262 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 63.66 19.17 11.58 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.653 0.596 . . . . 10.0 111.307 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.17 15.66 79.93 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.164 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.36 157.08 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.784 0.326 . . . . 10.0 110.319 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 88.4 mt -81.31 98.33 8.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.681 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.866 HG13 ' HB ' ' B' ' 38' ' ' VAL . 29.5 mm -96.28 106.27 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.956 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.87 HD13 HD13 ' A' ' 44' ' ' ILE . 1.9 mp -93.36 110.56 23.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.918 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -114.32 101.48 54.17 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.179 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.449 ' HB3' HD13 ' B' ' 27' ' ' LEU . 44.4 Cg_endo -68.22 151.29 76.88 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.368 2.045 . . . . 10.0 111.959 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 121.038 0.447 . . . . 10.0 110.314 179.697 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.4 m170 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 121.102 0.477 . . . . 10.0 110.357 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 m -102.83 143.01 32.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.99 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.87 132.84 34.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.288 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.43 97.75 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.617 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -87.28 163.64 16.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.438 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 5.4 tmm_? -102.48 108.97 20.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.638 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -93.88 107.22 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.02 -68.77 3.03 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.564 -0.827 . . . . 10.0 111.18 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -153.8 -45.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.907 0.384 . . . . 10.0 110.25 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.02 134.17 41.7 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.422 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.495 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 19.7 Cg_endo -62.37 147.8 94.33 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.39 2.06 . . . . 10.0 110.748 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.34 122.43 21.44 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.036 0.446 . . . . 10.0 111.836 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.9 t -87.85 116.99 30.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -77.64 139.97 39.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.009 0.433 . . . . 10.0 111.777 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.5 mt -118.19 124.73 28.41 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.459 ' HG2' HD23 ' A' ' 21' ' ' LEU . 18.9 Cg_endo -61.73 147.23 95.77 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.451 2.101 . . . . 10.0 111.401 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.8 -30.05 56.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.538 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -40.14 84.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.635 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.459 HD23 ' HG2' ' A' ' 18' ' ' PRO . 2.4 mm? -72.85 -31.1 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 10.0 110.544 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -65.65 -39.72 91.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.111 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -75.69 -24.82 56.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.89 -46.61 23.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.589 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.555 ' HB2' HD23 ' A' ' 27' ' ' LEU . 89.9 mt -86.71 -5.1 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.848 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 t30 58.02 56.7 4.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.234 0.54 . . . . 10.0 111.3 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 25' ' ' LEU . 1.7 pp -110.27 165.54 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.793 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -121.81 176.36 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.923 0.392 . . . . 10.0 111.492 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mm -82.03 137.24 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.095 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.91 18.4 10.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.685 -0.689 . . . . 10.0 112.151 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' B' ' 5' ' ' SER . 33.0 t0 -87.17 153.24 21.66 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.498 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -83.65 125.61 32.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.578 0.704 . . . . 10.0 112.802 -178.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 46' ' ' PRO . 24.4 m -110.69 145.27 17.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.422 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -92.44 96.27 10.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.911 0.386 . . . . 10.0 110.693 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.6 mt -85.61 126.17 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.143 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -130.09 148.53 51.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.589 HD11 HD21 ' B' ' 25' ' ' LEU . 26.4 tp -104.64 94.3 5.23 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HB ' HG13 ' A' ' 43' ' ' ILE . 93.2 t -104.54 109.71 28.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.28 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.24 44.09 19.33 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.121 0.785 . . . . 10.0 113.121 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.33 15.68 77.1 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.213 -0.518 . . . . 10.0 113.211 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -116.68 138.89 51.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.572 0.225 . . . . 10.0 110.584 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -79.51 103.0 9.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.097 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.406 HG13 ' HB ' ' A' ' 38' ' ' VAL . 28.6 mm -98.35 92.14 2.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.996 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.822 HD13 HD13 ' B' ' 44' ' ' ILE . 4.4 mp -92.35 106.35 17.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.655 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.463 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 28.4 tt0 -118.63 111.39 37.85 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.505 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HA ' HG12 ' A' ' 33' ' ' VAL . 22.5 Cg_endo -63.13 136.84 58.3 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.498 2.132 . . . . 10.0 111.222 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 t . . . . . 0 C--N 1.323 -0.566 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 179.622 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 3.6 m . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.665 0.269 . . . . 10.0 111.157 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 t -75.93 98.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 10.0 109.938 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -74.61 170.9 14.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.783 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -120.93 110.24 16.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.923 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -105.78 109.18 21.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.401 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.57 -60.45 4.74 Favored Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.587 -1.005 . . . . 10.0 110.587 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -168.9 -43.59 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.97 135.87 70.23 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.293 -0.867 . . . . 10.0 110.6 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -64.95 144.82 84.04 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.45 2.1 . . . . 10.0 111.167 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.68 140.8 33.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.882 0.373 . . . . 10.0 111.345 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 88.3 t -94.86 127.66 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . 0.406 ' HD2' HH11 ' B' ' 16' ' ' ARG . 11.6 mmt85 -78.55 126.57 30.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.722 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 72.5 mt -122.46 130.73 24.55 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.899 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . 0.763 ' HG2' ' HB2' ' B' ' 21' ' ' LEU . 19.1 Cg_endo -61.43 137.27 68.85 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.514 2.143 . . . . 10.0 111.511 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.86 -29.88 70.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.084 0.469 . . . . 10.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -34.1 77.34 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.423 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.763 ' HB2' ' HG2' ' B' ' 18' ' ' PRO . 0.3 OUTLIER -72.26 -32.85 67.03 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.021 179.312 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.495 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 68.3 mmm -62.06 -42.15 98.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.95 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -69.05 -27.48 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.612 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.39 -31.98 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.04 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.589 HD21 HD11 ' A' ' 37' ' ' LEU . 93.4 mt -92.8 -6.3 49.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.034 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 57.8 t30 71.27 63.01 0.16 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.357 -0.838 . . . . 10.0 113.255 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.637 HD13 ' HB3' ' B' ' 46' ' ' PRO . 0.8 OUTLIER -158.91 157.34 31.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.236 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.29 -166.78 1.67 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.882 0.372 . . . . 10.0 111.703 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -71.9 150.81 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.858 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.6 t70 74.62 6.22 4.49 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.267 0.627 . . . . 10.0 112.551 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -81.84 159.17 23.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -102.49 131.15 49.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.34 0.59 . . . . 10.0 111.516 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.9 m -113.82 138.71 42.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -88.09 98.47 11.56 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 mt -77.9 98.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.76 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.429 ' HB3' ' HB ' ' B' ' 43' ' ' ILE . 1.1 t0 -96.68 165.46 12.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.447 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 tp -133.5 99.11 4.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.32 100.89 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.205 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 56.59 61.78 2.54 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.819 0.699 . . . . 10.0 111.579 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.62 45.63 93.03 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.965 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -143.72 129.66 19.5 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.3 mt -76.93 105.72 8.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.37 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' B' ' 36' ' ' ASP . 25.2 mm -102.57 94.08 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.015 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.822 HD13 HD13 ' A' ' 44' ' ' ILE . 2.3 mp -87.19 110.63 20.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.025 0.44 . . . . 10.0 110.599 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.81 106.21 44.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.619 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.637 ' HB3' HD13 ' B' ' 27' ' ' LEU . 36.8 Cg_endo -66.7 144.68 72.84 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.58 2.187 . . . . 10.0 111.51 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t . . . . . 0 C--N 1.323 -0.547 0 CA-C-O 120.922 0.392 . . . . 10.0 110.563 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 CA-C-O 120.966 0.203 . . . . 10.0 112.677 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.1 mp -120.3 123.64 70.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -87.0 130.74 34.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.81 0.338 . . . . 10.0 110.339 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.0 p -122.72 146.29 47.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.95 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.47 115.09 25.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.85 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.65 91.11 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.561 ' HB2' ' HH2' ' B' ' 9' ' ' TRP . 72.2 mmtt -81.86 -179.44 7.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.852 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -101.11 108.04 19.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.114 0.483 . . . . 10.0 112.01 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -83.6 87.75 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.664 -1.236 . . . . 10.0 107.664 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.63 -92.76 1.22 Allowed Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 109.733 -1.347 . . . . 10.0 109.733 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.612 ' HB2' ' N7 ' ' X' ' 5' ' ' ' DA' . 81.4 m-20 -126.43 -11.6 6.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.603 0.24 . . . . 10.0 110.952 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.887 ' HG ' ' H8 ' ' X' ' 5' ' ' ' DA' . 27.2 m -112.92 142.73 27.77 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.387 -0.37 . . . . 10.0 110.62 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 58.6 Cg_endo -74.5 149.56 39.41 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.595 2.197 . . . . 10.0 111.267 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.02 133.21 23.02 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.01 0.433 . . . . 10.0 111.978 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.1 t -82.95 108.08 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 16' ' ' ARG . 36.3 ttm180 -65.31 121.88 15.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.435 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -109.08 105.28 56.97 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.773 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -55.37 145.42 67.55 Favored 'Trans proline' 0 C--O 1.237 0.43 0 C-N-CA 122.761 2.307 . . . . 10.0 112.397 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.15 -26.92 63.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.649 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.1 m -60.86 -37.16 81.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.998 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.81 -31.2 56.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.519 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 9.3 mtm -60.89 -48.36 82.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 10.0 109.996 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -65.54 -32.44 74.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.579 -0.737 . . . . 10.0 111.176 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.01 -56.56 20.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.088 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.651 ' HB2' HD23 ' A' ' 27' ' ' LEU . 94.0 mt -87.89 1.67 53.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.741 0.305 . . . . 10.0 111.633 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 62.45 44.07 7.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.69 0.757 . . . . 10.0 111.787 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -110.58 161.79 15.37 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.027 -0.731 . . . . 10.0 109.027 179.058 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -137.95 -172.25 3.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.837 0.351 . . . . 10.0 111.564 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.515 HG21 ' HB2' ' B' ' 8' ' ' ARG . 7.4 mm -75.58 154.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 67.44 29.14 7.47 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 112.513 0.56 . . . . 10.0 112.513 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -100.59 172.71 6.93 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.874 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -113.54 126.45 55.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.319 0.58 . . . . 10.0 111.397 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 46' ' ' PRO . 25.5 m -119.52 139.9 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HB3' ' HG3' ' A' ' 45' ' ' GLU . 24.6 ttmt -85.07 107.5 17.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.636 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.5 mt -83.64 96.41 4.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.613 -0.514 . . . . 10.0 109.613 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.574 ' HB3' ' HB ' ' A' ' 43' ' ' ILE . 3.0 t70 -101.21 159.05 15.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.936 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.607 HD21 HD21 ' B' ' 25' ' ' LEU . 0.3 OUTLIER -115.78 93.72 4.38 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.1 t -125.9 133.66 68.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.304 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.25 23.56 13.13 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.771 -0.649 . . . . 10.0 111.728 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.21 17.97 76.28 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.836 -0.697 . . . . 10.0 111.686 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.584 ' HD3' ' HB3' ' B' ' 45' ' ' GLU . 80.4 mttt -123.53 168.24 12.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.764 0.316 . . . . 10.0 110.464 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.746 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 77.6 mt -90.88 114.26 26.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.145 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 36' ' ' ASP . 46.5 mm -92.6 106.3 17.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 48.7 mm -105.28 108.14 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.062 0.458 . . . . 10.0 111.009 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 3.7 pt-20 -125.62 128.5 24.62 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.848 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 12.5 Cg_exo -72.1 116.18 4.61 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 123.018 2.479 . . . . 10.0 111.51 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.4 t -112.9 86.9 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.339 -0.615 . . . . 10.0 109.339 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.491 ' HD3' ' OE2' ' A' ' 50' ' ' GLU . 13.6 ptp180 -59.17 142.47 51.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.488 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -100.74 68.54 1.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.66 -0.7 . . . . 10.0 109.548 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' OE2' ' HD3' ' A' ' 48' ' ' ARG . 26.2 mt-10 . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.257 -0.878 . . . . 10.0 110.069 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 112.188 -0.365 . . . . 10.0 112.188 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 19.3 mt -72.07 134.57 29.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.853 0.359 . . . . 10.0 110.318 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -81.95 57.7 3.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.06 -0.518 . . . . 10.0 112.204 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 4.4 m -74.26 151.17 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.832 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -120.12 150.29 40.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.906 0.384 . . . . 10.0 111.607 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.8 t -90.14 114.12 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -100.75 174.37 6.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.66 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.515 ' HB2' HG21 ' A' ' 29' ' ' ILE . 2.9 ttm180 -87.98 133.78 33.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.207 0.527 . . . . 10.0 112.108 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.561 ' HH2' ' HB2' ' A' ' 7' ' ' LYS . 6.9 t90 -106.92 83.71 1.88 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.299 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.44 -71.26 2.52 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.827 -0.701 . . . . 10.0 111.367 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -132.85 -50.68 0.9 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.035 0.445 . . . . 10.0 110.531 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 1.3 m -95.0 148.79 35.26 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.151 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.519 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 61.4 Cg_endo -73.38 159.57 46.41 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.538 2.158 . . . . 10.0 112.064 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -146.27 133.63 20.69 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.528 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.8 t -81.71 107.04 13.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.114 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -68.57 114.99 7.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.932 -0.576 . . . . 10.0 109.9 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 50.1 mm -104.61 122.14 44.64 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.061 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -51.22 127.06 20.79 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.549 2.166 . . . . 10.0 111.527 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.45 -29.66 61.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -33.24 75.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.953 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.12 -30.12 34.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.779 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.569 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 64.3 mmm -60.63 -35.92 77.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.415 0.626 . . . . 10.0 110.44 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.65 -27.97 64.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.657 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.87 -37.27 70.23 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.88 0.371 . . . . 10.0 111.03 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.607 HD21 HD21 ' A' ' 37' ' ' LEU . 86.7 mt -83.32 -7.78 59.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.693 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.2 t30 63.72 56.52 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.338 -0.846 . . . . 10.0 112.721 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.409 HD23 ' O ' ' B' ' 22' ' ' MET . 1.5 pt? -138.93 170.5 15.88 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 178.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -139.94 -164.14 1.64 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.779 0.323 . . . . 10.0 111.762 -178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -74.53 146.4 9.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 78.29 9.93 2.04 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.929 0.768 . . . . 10.0 111.719 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -71.15 143.47 50.54 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -98.32 99.12 10.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.289 0.566 . . . . 10.0 111.412 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' B' ' 46' ' ' PRO . 15.7 m -89.32 134.09 29.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.354 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -89.87 109.77 20.75 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.684 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 55.2 mt -86.85 106.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -117.43 140.49 49.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.409 -0.359 . . . . 10.0 110.454 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' B' ' 37' ' ' LEU . 3.7 mm? -83.44 106.48 15.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.176 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.568 ' HB ' HG13 ' B' ' 43' ' ' ILE . 61.3 t -133.64 130.68 56.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 59.09 24.22 12.51 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.02 18.89 79.38 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.63 -0.795 . . . . 10.0 112.811 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -130.92 166.89 19.96 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.546 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 88.8 mt -90.31 108.04 19.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.028 0.442 . . . . 10.0 111.629 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.568 HG13 ' HB ' ' B' ' 38' ' ' VAL . 44.7 mm -89.59 105.52 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.746 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 24.9 mm -97.05 100.21 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.224 -0.443 . . . . 10.0 111.317 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.584 ' HB3' ' HD3' ' A' ' 41' ' ' LYS . 4.3 pt-20 -112.99 119.96 41.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.163 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 23.5 Cg_exo -66.3 121.24 8.49 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.885 2.39 . . . . 10.0 111.318 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 67.0 t -105.76 108.0 23.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.016 0.436 . . . . 10.0 110.993 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.514 ' HD3' ' OE2' ' B' ' 50' ' ' GLU . 12.1 ptp180 -69.57 145.48 52.53 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.068 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -104.22 81.83 1.88 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.091 0.472 . . . . 10.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.514 ' OE2' ' HD3' ' B' ' 48' ' ' ARG . 15.5 mt-10 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.163 -0.922 . . . . 10.0 109.595 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' ' DC' . . . . . 0.747 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 99.661 -2.171 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.979 0 C3'-C2'-C1' 99.353 -2.39 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' ' DT' . . . . . 0.84 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.036 0 C3'-C2'-C1' 99.096 -2.574 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' ' DG' . . . . . 0.84 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 C3'-C2'-C1' 99.384 -2.369 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' ' DA' . . . . . 0.887 ' H8 ' ' HG ' ' A' ' 12' ' ' SER . . . . . . . . 0 C2'--C1' 1.504 -1.206 0 C3'-C2'-C1' 99.234 -2.476 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' ' DT' . . . . . 0.766 ' OP2' H2'' ' X' ' 5' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.099 0 C3'-C2'-C1' 99.509 -2.279 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' ' DA' . . . . . 0.737 " H1'" " H5'" ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.046 0 O4'-C1'-C2' 103.706 -2.176 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' ' DT' . . . . . 0.737 " H5'" " H1'" ' X' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.063 0 C3'-C2'-C1' 99.49 -2.293 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' ' DA' . . . . . 0.561 ' OP2' H2'' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 103.73 -2.155 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.056 0 C3'-C2'-C1' 99.288 -2.437 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' ' DA' . . . . . 0.615 H2'' ' OP2' ' X' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.056 0 C3'-C2'-C1' 99.64 -2.186 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' ' DG' . . . . . 0.645 H2'' ' H71' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.037 0 C3'-C2'-C1' 99.406 -2.353 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' ' DT' . . . . . 0.723 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 99.586 -2.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' ' DG' . . . . . 0.723 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.062 0 O4'-C1'-C2' 103.756 -2.131 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' ' DC' . . . . . 0.614 ' C6 ' H2'' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-C1' 99.583 -2.227 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.779 H2'' ' C6 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.999 0 C3'-C2'-C1' 99.644 -2.183 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.779 ' C6 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.9 0 C3'-C2'-C1' 99.619 -2.2 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.522 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-C2' 103.741 -2.145 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.744 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.132 0 C3'-C2'-C1' 99.481 -2.299 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.744 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.505 -1.136 0 C3'-C2'-C1' 99.847 -2.038 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.439 ' OP2' H2'' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.132 0 C3'-C2'-C1' 99.497 -2.288 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.478 H2'' ' OP2' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.969 0 C3'-C2'-C1' 99.53 -2.265 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.481 H2'' ' OP2' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.953 0 C3'-C2'-C1' 99.416 -2.345 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.481 ' OP2' H2'' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.918 0 C3'-C2'-C1' 99.671 -2.163 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 O4'-C1'-C2' 103.781 -2.108 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Y' Y ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.01 0 C3'-C2'-C1' 99.376 -2.374 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.96 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.091 0 C3'-C2'-C1' 99.184 -2.512 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.96 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.046 0 C3'-C2'-C1' 99.628 -2.194 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 C3'-C2'-C1' 99.231 -2.478 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.747 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C3'-C2'-C1' 99.557 -2.245 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.663 -0.575 . . . . 10.0 111.663 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.2 mt -116.03 137.68 48.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.903 -0.406 . . . . 10.0 109.903 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -107.71 88.59 2.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.351 . . . . 10.0 110.966 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 m -99.02 143.42 29.32 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.269 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.13 123.79 29.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.344 -0.389 . . . . 10.0 110.86 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.3 t -74.83 96.7 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.001 0.429 . . . . 10.0 109.99 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.573 ' HE3' ' OP2' ' Y' ' 6' ' ' ' DA' . 63.6 mmtt -85.37 -178.86 6.83 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.572 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.5 ttt180 -105.66 119.07 38.2 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.987 0.422 . . . . 10.0 111.288 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.475 ' HD1' ' H62' ' X' ' 7' ' ' ' DA' . 3.6 t90 -84.6 90.03 7.59 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.645 -1.243 . . . . 10.0 107.645 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.499 ' HA2' ' O4 ' ' Y' ' 9' ' ' ' DT' . . . 75.42 -90.33 0.83 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.555 -0.831 . . . . 10.0 111.298 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.786 ' HB2' ' H62' ' X' ' 5' ' ' ' DA' . 44.0 m-20 -128.34 -0.68 5.68 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.433 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.7 p -126.21 149.38 66.72 Favored Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 110.482 -0.192 . . . . 10.0 110.482 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.566 ' HG2' ' HG3' ' B' ' 22' ' ' MET . 22.8 Cg_exo -66.56 143.18 67.73 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.924 2.416 . . . . 10.0 112.697 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HB2' ' HG2' ' B' ' 16' ' ' ARG . . . -141.55 129.2 21.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.949 -0.569 . . . . 10.0 110.906 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.89 123.91 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.066 -0.516 . . . . 10.0 109.936 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.42 HH12 ' HB3' ' B' ' 9' ' ' TRP . 4.5 mmt180 -71.39 109.59 5.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.68 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.5 mt -119.88 103.56 45.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.156 -0.474 . . . . 10.0 110.11 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -53.92 147.42 42.42 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 123.263 2.642 . . . . 10.0 112.512 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.66 -22.95 66.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.442 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.5 -39.24 76.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.646 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -76.03 -34.85 59.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.671 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.8 mmm -62.15 -40.26 95.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.433 -0.803 . . . . 10.0 110.643 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -68.75 -34.74 76.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.62 . . . . 10.0 110.935 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.6 -35.49 75.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.903 -0.59 . . . . 10.0 112.243 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.2 mt -92.14 -4.37 54.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.14 0.495 . . . . 10.0 111.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 66.0 61.76 0.62 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -142.64 141.79 31.96 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.934 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 4.3 t-20 -113.49 -168.7 1.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.294 -178.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.5 mm -68.49 146.23 12.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.5 -0.318 . . . . 10.0 110.249 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t0 72.3 18.07 4.73 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.652 0.595 . . . . 10.0 111.678 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.455 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 2.7 t70 -81.03 145.85 30.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.215 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -90.21 124.96 35.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.423 0.63 . . . . 10.0 111.165 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.6 m -118.37 136.44 55.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.326 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HE2' ' HB3' ' A' ' 45' ' ' GLU . 20.5 ttpt -89.13 105.6 17.89 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.67 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.455 ' O ' ' HA3' ' B' ' 1' ' ' GLY . 54.4 mt -83.91 97.41 4.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.504 -0.554 . . . . 10.0 109.504 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.46 157.23 16.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.293 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.2 tp -116.99 105.08 11.93 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -126.31 125.51 67.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.971 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t0 58.28 33.71 23.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.131 0.491 . . . . 10.0 111.946 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.24 21.29 73.88 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.917 -0.659 . . . . 10.0 112.373 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HD2' ' HG3' ' B' ' 45' ' ' GLU . 0.1 OUTLIER -119.9 147.32 44.86 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.656 0.265 . . . . 10.0 110.528 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.448 HD13 HD13 ' B' ' 17' ' ' ILE . 68.9 mt -80.97 110.55 16.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.178 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.7 mm -102.04 97.45 5.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.192 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.805 HD13 HD13 ' B' ' 44' ' ' ILE . 3.6 mp -90.3 99.4 9.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 16.2 tt0 -107.74 109.14 62.22 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.475 -0.784 . . . . 10.0 110.205 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.61 145.14 41.24 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.197 1.931 . . . . 10.0 111.651 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.1 t -73.09 118.1 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.692 -0.484 . . . . 10.0 109.692 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.426 ' HD3' ' OE1' ' A' ' 50' ' ' GLU . 8.9 ptp180 -60.62 144.44 51.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.199 -0.455 . . . . 10.0 112.081 -178.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -105.53 42.3 1.26 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.431 0.634 . . . . 10.0 109.729 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' OE1' ' HD3' ' A' ' 48' ' ' ARG . 28.0 mt-10 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 115.179 -0.919 . . . . 10.0 110.214 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 35' ' ' ILE . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 112.025 -0.43 . . . . 10.0 112.025 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 25.2 pt -98.82 156.31 3.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.602 0.239 . . . . 10.0 110.489 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -107.84 105.15 14.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.738 0.304 . . . . 10.0 110.804 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 20.0 m -111.0 171.67 7.33 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.858 -0.423 . . . . 10.0 109.858 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 6.1 p -118.05 140.76 49.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.062 0.458 . . . . 10.0 112.114 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.507 HG22 HG22 ' B' ' 15' ' ' VAL . 12.2 t -81.77 107.35 13.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.403 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.0 mmtt -95.72 170.95 8.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.07 0.462 . . . . 10.0 111.307 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' B' ' 8' ' ' ARG . 5.5 ttt180 -90.17 112.67 24.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.729 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.452 ' HH2' ' HB2' ' A' ' 7' ' ' LYS . 5.1 t90 -92.64 82.6 4.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.941 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.12 -80.26 1.4 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.311 -0.716 . . . . 10.0 111.311 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.604 ' ND2' ' H5 ' ' Y' ' 4' ' ' ' DC' . 3.8 t30 -111.05 -71.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.135 0.493 . . . . 10.0 110.031 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 9.0 m -88.62 156.93 50.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.469 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -70.54 173.04 12.26 Favored 'Trans proline' 0 C--O 1.238 0.497 0 C-N-CA 122.714 2.276 . . . . 10.0 113.331 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.34 152.36 10.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.2 -0.909 . . . . 10.0 109.601 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.507 HG22 HG22 ' B' ' 6' ' ' VAL . 91.2 t -106.9 120.2 57.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.431 -0.35 . . . . 10.0 110.751 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.474 ' NH2' " H2'" ' X' ' 6' ' ' ' DT' . 79.5 mtm-85 -83.91 133.27 34.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.205 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.448 HD13 HD13 ' A' ' 42' ' ' LEU . 89.7 mt -126.74 124.14 24.02 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 116.005 -0.543 . . . . 10.0 109.662 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.478 ' HA ' ' OP2' ' X' ' 5' ' ' ' DA' . 53.7 Cg_exo -42.1 134.42 4.25 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.797 2.998 . . . . 10.0 113.236 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.75 -27.38 59.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.793 -0.639 . . . . 10.0 111.419 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . 0.439 ' HA ' ' OE1' ' B' ' 23' ' ' GLN . 5.2 p -59.71 -37.76 79.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.988 -0.551 . . . . 10.0 111.208 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' B' ' 21' ' ' LEU . 3.6 mm? -71.3 -34.53 70.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.533 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.566 ' HG3' ' HG2' ' A' ' 13' ' ' PRO . 35.9 mmm -63.88 -39.85 95.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.091 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.439 ' OE1' ' HA ' ' B' ' 20' ' ' THR . 53.4 mt-30 -67.91 -33.13 74.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.668 -0.697 . . . . 10.0 110.626 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.7 -34.41 60.39 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.715 0.635 . . . . 10.0 112.715 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 mt -86.29 -10.88 53.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.779 0.659 . . . . 10.0 112.779 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 61.9 t30 73.39 63.93 0.09 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.383 0.611 . . . . 10.0 112.536 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -152.81 160.08 43.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.55 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.526 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 2.3 t-20 -134.65 -166.76 1.86 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.799 -0.361 . . . . 10.0 111.509 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.8 mm -69.29 140.29 19.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.691 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 75.77 19.24 2.01 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.843 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 0.3 OUTLIER -83.26 131.79 35.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.149 178.606 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.436 ' H ' ' HG3' ' B' ' 32' ' ' GLU . 0.0 OUTLIER -84.4 119.04 24.65 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.109 0.48 . . . . 10.0 110.488 179.68 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' B' ' 46' ' ' PRO . 21.6 m -106.66 143.94 16.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.7 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.485 ' HE3' ' HB3' ' B' ' 34' ' ' LYS . 11.1 ttpp -89.21 101.23 13.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.992 -0.549 . . . . 10.0 109.543 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -77.76 101.12 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.51 136.34 47.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.573 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 tp -101.31 91.04 4.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.043 0.449 . . . . 10.0 109.946 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.529 ' HB ' HG13 ' B' ' 43' ' ' ILE . 89.9 t -100.95 122.78 53.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.046 -0.525 . . . . 10.0 110.527 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 60.55 26.36 16.03 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.842 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.34 17.5 77.8 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.81 -0.709 . . . . 10.0 112.461 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.05 148.99 41.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.735 0.303 . . . . 10.0 110.87 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 81.4 mt -81.08 100.4 9.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.738 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.529 HG13 ' HB ' ' B' ' 38' ' ' VAL . 20.6 mm -99.74 102.56 13.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.844 -0.617 . . . . 10.0 109.374 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.805 HD13 HD13 ' A' ' 44' ' ' ILE . 1.9 mp -88.9 107.99 18.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.263 0.554 . . . . 10.0 110.507 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.436 ' HG3' ' HD2' ' A' ' 41' ' ' LYS . 20.3 tt0 -110.46 105.08 56.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.534 -0.757 . . . . 10.0 110.121 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.446 ' HA ' HG12 ' B' ' 33' ' ' VAL . 55.7 Cg_endo -71.4 142.69 41.42 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.252 1.968 . . . . 10.0 111.445 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.14 101.93 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.541 ' HD3' ' OE2' ' B' ' 50' ' ' GLU . 4.7 ptp180 -44.32 112.44 0.41 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.196 -0.911 . . . . 10.0 112.134 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' B' ' 49' ' ' LYS . 41.7 mmtm -82.58 67.45 8.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.247 0.546 . . . . 10.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.541 ' OE2' ' HD3' ' B' ' 48' ' ' ARG . 85.1 mt-10 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.399 -0.81 . . . . 10.0 109.177 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' ' DC' . . . . . 0.758 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.045 0 C3'-C2'-C1' 99.539 -2.258 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.994 0 C3'-C2'-C1' 99.619 -2.2 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' ' DT' . . . . . 0.793 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.889 0 C3'-C2'-C1' 99.425 -2.339 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' ' DG' . . . . . 0.793 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.936 0 C3'-C2'-C1' 99.427 -2.338 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' ' DA' . . . . . 0.786 ' H62' ' HB2' ' A' ' 11' ' ' ASN . . . . . . . . 0 C2'--C1' 1.506 -1.08 0 C3'-C2'-C1' 99.428 -2.337 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' ' DT' . . . . . 0.474 " H2'" ' NH2' ' B' ' 16' ' ' ARG . . . . . . . . 0 C2'--C1' 1.507 -1.032 0 O4'-C1'-C2' 103.746 -2.14 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' ' DA' . . . . . 0.475 ' H62' ' HD1' ' A' ' 9' ' ' TRP . . . . . . . . 0 C2'--C1' 1.507 -1.022 0 C3'-C2'-C1' 99.668 -2.166 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' ' DT' . . . . . 0.556 H2'' ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.834 0 C3'-C2'-C1' 99.701 -2.142 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' ' DA' . . . . . 0.556 ' OP2' H2'' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.503 -1.269 0 C3'-C2'-C1' 98.81 -2.778 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' ' DT' . . . . . 0.529 ' H71' H2'' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 C3'-C2'-C1' 99.187 -2.509 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' ' DA' . . . . . 0.523 ' OP2' " H2'" ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.879 0 O4'-C1'-C2' 103.633 -2.243 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.808 0 O4'-C1'-C2' 103.633 -2.243 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' ' DT' . . . . . 0.759 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.007 0 C3'-C2'-C1' 98.904 -2.711 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' ' DG' . . . . . 0.759 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.079 0 C3'-C2'-C1' 99.437 -2.331 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' ' DC' . . . . . 0.424 ' C5 ' H2'' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.997 0 C3'-C2'-C1' 99.575 -2.232 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.646 H2'' ' C5 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-C1' 99.611 -2.207 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.646 ' C5 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.904 0 C3'-C2'-C1' 99.739 -2.115 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.6 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.866 0 C3'-C2'-C1' 99.644 -2.183 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.758 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.995 0 O4'-C1'-C2' 103.712 -2.171 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.758 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.952 0 C3'-C2'-C1' 99.708 -2.137 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.573 ' OP2' ' HE3' ' A' ' 7' ' ' LYS . . . . . . . . 0 C2'--C1' 1.507 -0.984 0 C3'-C2'-C1' 99.675 -2.161 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.482 H2'' ' OP2' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.041 0 C3'-C2'-C1' 99.525 -2.268 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.511 H2'' ' OP2' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.022 0 C3'-C2'-C1' 99.397 -2.359 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.511 ' OP2' H2'' ' Y' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.063 0 C3'-C2'-C1' 99.472 -2.306 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.937 0 C3'-C2'-C1' 99.696 -2.146 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Y' Y ' 11' ' ' ' DT' . . . . . 0.46 H2'' ' C6 ' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 C3'-C2'-C1' 99.114 -2.561 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.895 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.142 0 C3'-C2'-C1' 98.889 -2.722 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.895 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.972 0 C3'-C2'-C1' 99.633 -2.19 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 99.565 -2.239 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.758 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.006 0 C3'-C2'-C1' 99.477 -2.302 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 112.185 -0.366 . . . . 10.0 112.185 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.8 mt -74.24 139.8 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 110.419 -0.215 . . . . 10.0 110.419 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -90.12 126.13 35.68 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.3 m -138.54 143.15 39.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.723 0.297 . . . . 10.0 111.521 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.83 125.6 39.6 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.883 0.373 . . . . 10.0 111.263 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -77.46 112.41 15.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.44 . . . . 10.0 109.876 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -91.05 177.22 6.33 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.359 -0.382 . . . . 10.0 111.83 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -100.28 116.74 32.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.231 -0.441 . . . . 10.0 111.836 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.656 ' HH2' ' HB2' ' B' ' 7' ' ' LYS . 4.6 t90 -90.9 84.93 5.85 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.34 -65.88 3.56 Favored Glycine 0 N--CA 1.452 -0.29 0 N-CA-C 110.971 -0.852 . . . . 10.0 110.971 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.605 ' ND2' " H2'" ' X' ' 4' ' ' ' DG' . 4.0 t30 -144.47 -41.09 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.2 0.524 . . . . 10.0 109.926 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m -91.36 136.57 26.81 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.224 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 36.1 Cg_endo -64.99 152.2 83.21 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.651 2.234 . . . . 10.0 112.063 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.95 139.55 30.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.126 0.489 . . . . 10.0 111.881 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.9 t -94.56 111.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.011 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.9 mtt180 -66.3 127.29 31.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.426 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.0 mm -105.96 121.9 44.2 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.074 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HA ' ' OP1' ' Y' ' 4' ' ' ' DC' . 53.2 Cg_exo -55.58 124.88 17.36 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.57 2.18 . . . . 10.0 112.075 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.79 -30.32 67.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.329 0.585 . . . . 10.0 110.531 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -40.8 89.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.414 -0.812 . . . . 10.0 109.801 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.2 -32.21 66.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.417 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.0 mmm -59.24 -44.39 92.35 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.962 -0.563 . . . . 10.0 109.557 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -69.51 -32.56 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.452 -0.795 . . . . 10.0 110.717 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.09 -49.94 45.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.132 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -70.12 -16.99 63.19 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.4 t30 74.19 60.42 0.08 Allowed 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.089 0.774 . . . . 10.0 113.089 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.53 162.1 36.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.049 -0.523 . . . . 10.0 109.933 178.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -126.02 176.08 7.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.565 0.221 . . . . 10.0 110.806 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 mm -62.7 146.33 12.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 10.0 110.265 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.53 20.53 3.1 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.023 0.529 . . . . 10.0 112.185 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.57 ' O ' ' HA ' ' B' ' 5' ' ' SER . 19.5 t70 -76.93 139.14 40.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -85.72 100.9 12.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.006 0.432 . . . . 10.0 111.493 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 46' ' ' PRO . 27.4 m -94.64 138.05 21.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.101 0.477 . . . . 10.0 110.435 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HE3' ' HB3' ' A' ' 34' ' ' LYS . 15.3 ttpp -91.45 95.17 9.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.0 mt -70.99 109.27 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.633 . . . . 10.0 109.97 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.85 147.97 33.41 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.541 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.493 HD11 HD21 ' B' ' 25' ' ' LEU . 0.6 OUTLIER -105.29 100.19 9.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.511 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.7 t -122.8 120.82 61.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.565 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.38 23.37 13.71 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.92 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.29 18.04 78.67 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.803 -0.713 . . . . 10.0 111.603 -179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.572 ' HD3' ' HG2' ' B' ' 45' ' ' GLU . 73.6 mttt -117.32 150.4 38.88 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.928 -0.397 . . . . 10.0 109.928 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.804 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 81.7 mt -87.28 107.95 18.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.526 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.424 HG22 ' HG3' ' A' ' 45' ' ' GLU . 21.4 mm -93.46 107.32 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.958 -0.565 . . . . 10.0 109.64 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.666 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 45.9 mm -93.73 102.41 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.358 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.552 ' HG2' ' HD2' ' B' ' 41' ' ' LYS . 48.9 mt-10 -117.45 111.61 39.81 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.386 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.436 ' HA ' HG12 ' A' ' 33' ' ' VAL . 37.9 Cg_endo -66.3 128.42 19.36 Favored 'Trans proline' 0 C--O 1.236 0.406 0 C-N-CA 122.821 2.347 . . . . 10.0 112.28 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 t -99.63 95.16 3.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.297 0.57 . . . . 10.0 109.741 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.511 ' HD3' ' OE2' ' A' ' 50' ' ' GLU . 9.1 ptp180 -65.14 98.67 0.32 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.74 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -74.51 87.94 2.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.068 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.511 ' OE2' ' HD3' ' A' ' 48' ' ' ARG . 89.3 mt-10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.518 -0.754 . . . . 10.0 110.973 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 112.027 -0.429 . . . . 10.0 112.027 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 44.3 mt -103.73 127.45 57.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.95 -0.389 . . . . 10.0 109.95 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -85.15 110.14 18.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.058 0.456 . . . . 10.0 111.524 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 10.8 m -128.15 146.21 50.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.099 -0.501 . . . . 10.0 110.378 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.57 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -90.28 132.2 35.67 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.231 0.456 . . . . 10.0 112.231 -179.372 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.471 HG22 HG22 ' B' ' 15' ' ' VAL . 44.4 t -77.31 102.16 3.66 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.656 ' HB2' ' HH2' ' A' ' 9' ' ' TRP . 71.9 mmtt -84.51 172.82 11.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.407 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.502 ' HA ' ' HA ' ' B' ' 13' ' ' PRO . 60.6 ttt180 -98.44 117.75 33.56 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.176 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 7.7 t90 -90.3 81.24 6.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.154 0.502 . . . . 10.0 110.931 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 -65.95 2.98 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.244 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -126.86 -64.21 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.645 0.259 . . . . 10.0 110.472 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 42.0 m -87.66 149.27 45.87 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.423 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.502 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 49.1 Cg_endo -69.95 155.86 64.28 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.624 2.216 . . . . 10.0 111.756 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.14 136.13 17.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.872 0.368 . . . . 10.0 111.046 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.471 HG22 HG22 ' B' ' 6' ' ' VAL . 56.9 t -86.14 113.77 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.043 -0.725 . . . . 10.0 109.043 178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.575 ' HD2' ' OP2' ' X' ' 6' ' ' ' DT' . 27.4 ttm180 -72.99 120.0 18.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.638 -179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 47.2 mm -107.24 112.31 62.91 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -53.44 140.96 63.1 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.678 2.252 . . . . 10.0 111.784 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.64 -23.0 64.43 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.972 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -43.26 99.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.309 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' B' ' 21' ' ' LEU . 3.5 mm? -75.35 -32.4 60.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.915 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.415 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 74.8 mmm -59.53 -35.92 75.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.78 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -82.75 -6.71 59.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.778 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.3 -34.68 16.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.11 0.481 . . . . 10.0 110.361 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.493 HD21 HD11 ' A' ' 37' ' ' LEU . 80.8 mt -94.21 -14.71 25.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.244 179.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 62.5 t30 70.16 59.88 0.25 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.364 -0.835 . . . . 10.0 112.798 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -129.28 150.83 50.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.284 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 49.8 m-80 -113.5 -172.05 2.0 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 112.691 0.626 . . . . 10.0 112.691 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.8 mm -76.61 140.82 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.616 -0.72 . . . . 10.0 109.198 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 75.37 9.89 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.775 0.672 . . . . 10.0 111.737 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 0.6 OUTLIER -67.61 124.9 24.54 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 108.784 -0.821 . . . . 10.0 108.784 178.821 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -82.04 98.0 8.41 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.319 0.581 . . . . 10.0 111.991 -178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' B' ' 46' ' ' PRO . 22.7 m -90.48 164.15 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.588 -0.733 . . . . 10.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -105.26 120.55 41.82 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.441 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.3 mt -104.49 108.74 25.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -119.82 153.76 35.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.829 0.347 . . . . 10.0 110.761 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' B' ' 37' ' ' LEU . 3.9 mm? -98.56 97.15 8.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.489 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.781 ' HB ' HG13 ' B' ' 43' ' ' ILE . 41.8 t -123.56 135.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.04 -0.527 . . . . 10.0 109.932 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.472 ' HB3' ' HE2' ' B' ' 41' ' ' LYS . 7.4 t70 64.89 13.35 8.49 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.647 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.75 25.49 56.1 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.752 -0.737 . . . . 10.0 112.584 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.552 ' HD2' ' HG2' ' A' ' 45' ' ' GLU . 4.6 pttt -143.45 169.36 17.83 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.685 -0.303 . . . . 10.0 110.854 179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.666 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 96.7 mt -82.76 111.42 18.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.409 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.781 HG13 ' HB ' ' B' ' 38' ' ' VAL . 32.8 mm -101.41 105.34 17.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.01 -0.737 . . . . 10.0 109.01 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.804 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 35.1 mm -89.79 100.42 10.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.925 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.572 ' HG2' ' HD3' ' A' ' 41' ' ' LYS . 43.8 mt-10 -103.32 114.5 64.94 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.823 -0.626 . . . . 10.0 109.613 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.54 ' HA ' HG12 ' B' ' 33' ' ' VAL . 38.4 Cg_endo -66.96 131.83 26.55 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.738 2.292 . . . . 10.0 112.043 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 60.7 t -122.5 117.84 53.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.919 0.39 . . . . 10.0 110.11 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -87.13 123.97 32.75 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.313 -0.403 . . . . 10.0 110.614 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -79.12 79.63 5.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.306 0.574 . . . . 10.0 109.913 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.551 -179.157 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' ' DC' . . . . . 0.737 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.074 0 C3'-C2'-C1' 99.459 -2.315 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.968 0 O4'-C1'-C2' 103.862 -2.034 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' ' DT' . . . . . 0.815 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.984 0 C3'-C2'-C1' 99.539 -2.258 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' ' DG' . . . . . 0.815 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.987 0 O4'-C1'-C2' 103.701 -2.181 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' ' DA' . . . . . 0.482 " H1'" " H5'" ' X' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.102 0 C3'-C2'-C1' 99.251 -2.463 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' ' DT' . . . . . 0.575 ' OP2' ' HD2' ' B' ' 16' ' ' ARG . . . . . . . . 0 C2'--C1' 1.507 -0.983 0 O4'-C1'-C2' 103.738 -2.147 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' ' DA' . . . . . 0.471 ' C8 ' ' H72' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.928 0 C3'-C2'-C1' 99.512 -2.277 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' ' DT' . . . . . 0.589 H2'' ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.0 0 C3'-C2'-C1' 99.539 -2.258 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' ' DA' . . . . . 0.589 ' OP2' H2'' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 C3'-C2'-C1' 99.447 -2.323 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' ' DT' . . . . . 0.42 H2'' ' C8 ' ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.108 0 C3'-C2'-C1' 99.344 -2.397 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' ' DA' . . . . . 0.452 ' OP2' " H2'" ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 O4'-C1'-C2' 103.59 -2.282 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' ' DG' . . . . . 0.464 H2'' ' C7 ' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.115 0 C3'-C2'-C1' 99.273 -2.448 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' ' DT' . . . . . 0.816 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.926 0 C3'-C2'-C1' 99.558 -2.244 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' ' DG' . . . . . 0.816 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.068 0 C3'-C2'-C1' 99.35 -2.393 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' ' DC' . . . . . 0.513 ' C6 ' H2'' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.889 0 C3'-C2'-C1' 99.556 -2.246 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.671 H2'' ' C5 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.917 0 C3'-C2'-C1' 99.467 -2.31 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.671 ' C5 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 C3'-C2'-C1' 99.52 -2.272 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.619 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.058 0 C3'-C2'-C1' 99.536 -2.26 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.702 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.068 0 C3'-C2'-C1' 99.658 -2.173 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.702 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.944 0 O4'-C1'-C2' 103.662 -2.216 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.541 " H1'" " H5'" ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.138 0 C3'-C2'-C1' 99.675 -2.161 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.541 " H5'" " H1'" ' Y' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.2 0 C3'-C2'-C1' 99.246 -2.467 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.537 ' OP2' H2'' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.314 -2.419 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.481 H2'' ' C8 ' ' Y' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.925 0 C3'-C2'-C1' 99.738 -2.116 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 10' ' ' ' DA' . . . . . 0.481 ' C8 ' H2'' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.139 0 C3'-C2'-C1' 99.67 -2.164 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.981 0 C3'-C2'-C1' 99.392 -2.363 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.832 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.282 0 C3'-C2'-C1' 99.371 -2.378 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.832 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.99 0 C3'-C2'-C1' 99.327 -2.409 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.978 0 C3'-C2'-C1' 99.637 -2.188 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.737 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.043 0 C3'-C2'-C1' 99.339 -2.401 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.654 -0.578 . . . . 10.0 111.654 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.743 HG13 ' HB ' ' B' ' 35' ' ' ILE . 10.2 pt -94.99 140.86 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 122.63 -0.336 . . . . 10.0 110.203 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -90.41 130.75 36.46 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.155 0.503 . . . . 10.0 111.541 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.0 m -149.27 163.98 36.14 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.55 136.47 54.89 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.731 0.3 . . . . 10.0 111.295 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.488 HG12 ' HB2' ' A' ' 13' ' ' PRO . 13.9 t -78.74 101.57 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.289 -0.634 . . . . 10.0 109.289 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -91.59 162.78 14.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.109 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 7.8 ttm180 -83.3 125.45 31.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.269 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -104.32 84.21 2.18 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.551 ' HA2' ' H73' ' Y' ' 9' ' ' ' DT' . . . 80.54 -62.34 4.35 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.385 -0.686 . . . . 10.0 111.385 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -138.98 -65.09 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.393 . . . . 10.0 110.06 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -80.46 143.85 56.22 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.396 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HB2' HG12 ' A' ' 6' ' ' VAL . 56.1 Cg_endo -71.38 153.73 61.12 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.496 2.13 . . . . 10.0 111.376 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.43 145.68 31.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.211 0.529 . . . . 10.0 112.094 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 6' ' ' VAL . 48.0 t -98.5 123.07 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.712 -0.676 . . . . 10.0 109.357 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 16' ' ' ARG . 51.5 mtt180 -82.34 128.06 33.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.952 0.406 . . . . 10.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.7 mm -120.79 100.58 46.31 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.411 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.487 ' HD2' HD23 ' A' ' 21' ' ' LEU . 50.9 Cg_exo -55.18 159.48 9.93 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.791 2.327 . . . . 10.0 111.985 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.73 -28.76 16.06 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.584 0.957 . . . . 10.0 113.584 -178.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -49.52 75.82 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.487 HD23 ' HD2' ' A' ' 18' ' ' PRO . 2.3 mm? -72.66 -32.29 65.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.27 -178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.591 ' HG3' ' HG2' ' B' ' 13' ' ' PRO . 92.9 mmm -61.92 -43.65 98.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.468 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -74.64 -24.86 58.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.796 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.54 -41.53 96.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 10.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 85.0 mt -94.0 -12.3 28.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.914 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 t30 69.74 51.52 0.45 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 124.037 0.836 . . . . 10.0 111.752 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -121.11 159.52 25.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.07 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -120.38 -166.68 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.083 0.468 . . . . 10.0 111.662 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 mm -78.03 149.7 5.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.45 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 t70 69.19 18.89 8.08 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.241 0.616 . . . . 10.0 111.788 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.471 ' O ' ' HA ' ' B' ' 5' ' ' SER . 7.1 t70 -73.93 145.47 44.69 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.8 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -93.02 98.03 11.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.288 0.566 . . . . 10.0 111.895 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 16.8 m -94.37 141.74 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.52 -0.764 . . . . 10.0 110.092 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 35.3 mtmt -97.51 121.43 39.4 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.6 mt -100.17 110.7 27.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.352 -0.385 . . . . 10.0 109.999 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -120.41 168.16 11.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.388 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD21 HD12 ' B' ' 21' ' ' LEU . 3.1 mm? -112.02 40.82 2.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.919 0.39 . . . . 10.0 111.768 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.775 ' HB ' HG13 ' A' ' 43' ' ' ILE . 25.1 t -69.01 131.31 33.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.384 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.69 ' HB3' ' HD3' ' A' ' 41' ' ' LYS . 9.2 t70 69.69 8.81 6.92 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.31 0.644 . . . . 10.0 112.204 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.87 24.69 54.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.862 -0.685 . . . . 10.0 113.299 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.69 ' HD3' ' HB3' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -136.43 170.86 15.36 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 122.665 -0.315 . . . . 10.0 110.307 179.165 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.93 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 85.9 mt -81.6 101.44 10.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.849 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.775 HG13 ' HB ' ' A' ' 38' ' ' VAL . 48.8 mm -87.6 107.56 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.899 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 18.5 mm -106.77 99.24 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.903 0.382 . . . . 10.0 111.015 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HG3' ' HE3' ' A' ' 34' ' ' LYS . 5.1 pt-20 -121.63 121.4 28.32 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.302 -0.408 . . . . 10.0 111.145 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . 93.8 Cg_endo -80.36 156.12 22.16 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.785 2.323 . . . . 10.0 111.833 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.44 132.38 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.0 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -77.15 109.45 11.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.264 0.554 . . . . 10.0 110.819 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -84.65 85.79 7.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.45 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.427 -0.797 . . . . 10.0 110.122 179.738 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.407 0 N-CA-C 112.141 -0.384 . . . . 10.0 112.141 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 7.8 mt -88.61 148.26 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.632 -0.506 . . . . 10.0 109.632 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -95.24 129.81 42.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.069 0.462 . . . . 10.0 111.206 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.55 156.28 48.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.184 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 19.8 m -105.0 128.8 53.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.971 0.415 . . . . 10.0 111.841 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 32.4 t -67.84 111.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.409 ' HG3' ' NH1' ' B' ' 16' ' ' ARG . 73.8 mmtt -98.46 -179.08 4.22 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.23 0.455 . . . . 10.0 112.23 -178.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -105.51 114.1 28.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.188 0.518 . . . . 10.0 112.207 -178.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.501 ' HZ2' ' C7 ' ' Y' ' 7' ' ' ' DT' . 3.6 t90 -89.96 79.01 6.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.697 -1.223 . . . . 10.0 107.697 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.0 -55.58 4.8 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 110.52 -1.032 . . . . 10.0 110.52 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -152.13 -52.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . 0.632 ' OG ' " H2'" ' Y' ' 4' ' ' ' DC' . 0.8 OUTLIER -69.93 139.77 88.31 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.252 -0.886 . . . . 10.0 112.037 -179.363 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.591 ' HG2' ' HG3' ' A' ' 22' ' ' MET . 27.2 Cg_exo -66.07 133.28 32.7 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 123.052 2.502 . . . . 10.0 110.366 178.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.37 132.6 47.09 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.011 0.434 . . . . 10.0 111.895 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 38.9 t -93.68 113.06 27.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.522 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 16' ' ' ARG . 66.6 mtt180 -69.89 122.68 19.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.538 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 42.4 mm -106.83 118.55 53.93 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -50.52 124.27 12.96 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.907 2.405 . . . . 10.0 112.01 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.95 -30.48 66.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.966 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -40.33 86.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.761 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.426 HD12 HD21 ' A' ' 37' ' ' LEU . 3.7 mm? -71.84 -27.9 63.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.175 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.6 mmm -62.59 -27.87 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.502 0.668 . . . . 10.0 109.733 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -82.4 -10.93 58.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.442 -0.799 . . . . 10.0 111.442 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.45 -38.33 26.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.082 0.467 . . . . 10.0 110.437 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 74.3 mt -90.89 -8.03 50.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.22 0.533 . . . . 10.0 109.698 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 52.4 t30 64.27 60.45 0.96 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.713 -1.131 . . . . 10.0 113.165 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -131.55 148.93 52.66 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 2.7 t-20 -108.5 -173.32 2.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.811 0.339 . . . . 10.0 110.598 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 mm -75.39 149.68 6.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.2 t70 76.23 4.83 3.7 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.933 0.493 . . . . 10.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.486 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 0.2 OUTLIER -71.99 133.4 45.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.54 179.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -74.03 129.81 38.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.987 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 8.2 m -123.26 144.03 34.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.268 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.1 113.07 25.24 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.341 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.743 ' HB ' HG13 ' A' ' 2' ' ' ILE . 54.7 mt -93.43 102.29 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.416 ' HB3' HG23 ' B' ' 38' ' ' VAL . 0.4 OUTLIER -114.6 130.68 56.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.313 -179.457 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.33 75.6 6.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.157 -0.474 . . . . 10.0 109.829 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.554 ' HB ' HG13 ' B' ' 43' ' ' ILE . 58.7 t -109.2 134.41 51.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.749 -0.659 . . . . 10.0 111.08 -178.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 66.92 24.77 9.58 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.943 0.72 . . . . 10.0 112.943 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.57 18.1 79.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.839 -0.696 . . . . 10.0 113.243 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -137.68 165.14 27.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.757 0.279 . . . . 10.0 110.539 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.899 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 56.4 mt -85.45 108.5 17.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.162 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.554 HG13 ' HB ' ' B' ' 38' ' ' VAL . 36.0 mm -95.93 102.17 13.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 108.691 -0.855 . . . . 10.0 108.691 178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.93 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 30.9 mm -96.58 110.64 25.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.2 0.524 . . . . 10.0 110.79 -179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.501 ' HG2' ' HE3' ' A' ' 41' ' ' LYS . 27.6 mt-10 -111.11 127.58 26.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 17.5 Cg_exo -67.95 127.89 16.83 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.765 2.31 . . . . 10.0 111.35 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 61.1 t -106.34 111.97 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.909 0.385 . . . . 10.0 111.087 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.494 ' HD3' ' OE2' ' B' ' 50' ' ' GLU . 9.3 ptp180 -82.28 123.63 29.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.608 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.502 ' HA ' ' HD3' ' B' ' 49' ' ' LYS . 17.2 mmtp -89.5 88.45 7.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.379 0.609 . . . . 10.0 112.136 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.494 ' OE2' ' HD3' ' B' ' 48' ' ' ARG . 24.5 mt-10 . . . . . 0 C--O 1.253 1.266 0 CA-C-O 117.956 -1.021 . . . . 10.0 109.707 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' ' DC' . . . . . 0.74 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.041 0 O4'-C1'-C2' 103.832 -2.062 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.043 0 C3'-C2'-C1' 99.571 -2.235 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' ' DT' . . . . . 0.732 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.879 0 C3'-C2'-C1' 99.558 -2.244 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' ' DG' . . . . . 0.732 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.097 0 C3'-C2'-C1' 99.338 -2.402 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' ' DA' . . . . . 0.727 H2'' ' OP2' ' X' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.247 0 C3'-C2'-C1' 99.265 -2.454 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' ' DT' . . . . . 0.727 ' OP2' H2'' ' X' ' 5' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.123 0 C3'-C2'-C1' 99.675 -2.16 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' ' DA' . . . . . 0.497 " H1'" " H5'" ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.004 0 C3'-C2'-C1' 99.572 -2.235 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' ' DT' . . . . . 0.628 H2'' ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.09 0 C3'-C2'-C1' 99.576 -2.231 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' ' DA' . . . . . 0.628 ' OP2' H2'' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.04 0 C3'-C2'-C1' 99.507 -2.281 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' ' DT' . . . . . 0.478 ' H71' H2'' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.959 0 C3'-C2'-C1' 99.272 -2.448 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.16 0 C3'-C2'-C1' 99.648 -2.18 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 99.461 -2.314 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 13' ' ' ' DT' . . . . . 0.856 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.085 0 C3'-C2'-C1' 99.435 -2.332 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 14' ' ' ' DG' . . . . . 0.856 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.069 0 C3'-C2'-C1' 99.557 -2.245 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.017 0 C3'-C2'-C1' 99.574 -2.233 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.68 H2'' ' C6 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.096 0 C3'-C2'-C1' 99.618 -2.201 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.68 ' C6 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.093 0 C3'-C2'-C1' 99.351 -2.392 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.58 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.842 0 O4'-C1'-C2' 103.695 -2.186 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.76 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.19 0 C3'-C2'-C1' 99.411 -2.349 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.76 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.51 -0.776 0 O4'-C1'-C2' 103.535 -2.332 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.543 H2'' ' OP2' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.503 -1.265 0 C3'-C2'-C1' 99.435 -2.332 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.543 ' OP2' H2'' ' Y' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.208 0 C3'-C2'-C1' 99.489 -2.294 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.512 ' OP2' H2'' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.981 0 C3'-C2'-C1' 99.36 -2.386 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.641 H2'' ' C8 ' ' Y' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C3'-C2'-C1' 99.29 -2.436 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 10' ' ' ' DA' . . . . . 0.641 ' C8 ' H2'' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.044 0 O4'-C1'-C2' 103.82 -2.072 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 11' ' ' ' DT' . . . . . 0.404 H2'' ' C6 ' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 C3'-C2'-C1' 99.464 -2.312 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.799 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.075 0 C3'-C2'-C1' 98.995 -2.647 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.799 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.021 0 C3'-C2'-C1' 99.507 -2.28 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.026 0 C3'-C2'-C1' 99.498 -2.287 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.74 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.948 0 O4'-C1'-C2' 103.742 -2.143 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.027 -0.429 . . . . 10.0 112.027 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.1 mt -93.4 123.1 45.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -91.42 108.47 19.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.949 0.404 . . . . 10.0 110.786 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -121.9 142.93 49.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.503 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.12 138.65 31.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.504 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.5 t -94.29 131.24 41.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.884 0.373 . . . . 10.0 110.7 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -119.65 174.21 6.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.597 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 40.2 ttm105 -95.62 131.71 41.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.016 -0.538 . . . . 10.0 111.29 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.567 ' HB3' HH12 ' B' ' 16' ' ' ARG . 5.2 t90 -102.95 83.47 2.23 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.304 -0.628 . . . . 10.0 109.304 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.28 -83.33 1.61 Allowed Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 110.948 -0.861 . . . . 10.0 110.948 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -119.45 -52.55 2.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.425 . . . . 10.0 110.011 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.427 ' OG ' ' H8 ' ' X' ' 5' ' ' ' DA' . 14.8 m -91.06 147.28 35.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.925 -0.58 . . . . 10.0 110.122 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.597 ' HA ' ' HA ' ' A' ' 8' ' ' ARG . 51.5 Cg_endo -68.45 167.89 21.19 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.703 2.269 . . . . 10.0 112.641 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.09 131.6 5.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.357 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.417 HG23 HD12 ' B' ' 17' ' ' ILE . 96.7 t -85.09 115.75 27.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.152 -0.476 . . . . 10.0 109.877 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtm-85 -77.96 125.74 29.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.378 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.451 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 61.8 mt -119.73 125.33 27.48 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.27 -0.423 . . . . 10.0 110.149 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 17' ' ' ILE . 1.5 Cg_endo -46.59 132.3 16.23 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.668 2.912 . . . . 10.0 112.45 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.9 -30.89 66.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.661 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -33.66 76.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.691 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.29 -30.27 60.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.654 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.688 ' HG3' ' HG3' ' B' ' 13' ' ' PRO . 22.7 mmm -63.28 -36.96 85.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.425 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.58 -29.37 70.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.57 -0.741 . . . . 10.0 110.853 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -16.94 61.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.771 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 26.7 mt -103.92 -3.49 24.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.557 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.9 t30 65.79 9.95 6.43 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.536 0.939 . . . . 10.0 113.536 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -91.72 165.63 13.19 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.666 -0.414 . . . . 10.0 110.655 179.819 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -128.47 -172.47 2.71 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.692 0.282 . . . . 10.0 111.118 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' B' ' 8' ' ' ARG . 28.3 mm -75.79 147.27 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 t70 76.83 3.28 3.39 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.626 0.579 . . . . 10.0 111.423 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -74.96 165.86 24.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.308 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -107.84 139.6 42.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.286 0.565 . . . . 10.0 111.139 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 46' ' ' PRO . 11.9 m -123.27 136.02 61.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.739 -0.664 . . . . 10.0 110.811 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -89.59 98.58 11.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.806 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.498 HG12 HG13 ' A' ' 44' ' ' ILE . 59.3 mt -77.94 111.73 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.127 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.23 126.57 52.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.292 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 tp -90.02 85.21 6.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.495 -0.558 . . . . 10.0 109.495 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.1 t -109.62 128.49 65.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.142 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t0 61.94 20.47 11.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.811 -0.631 . . . . 10.0 112.543 178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.95 12.48 82.59 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.818 -0.706 . . . . 10.0 112.534 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.36 150.58 37.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.984 0.421 . . . . 10.0 110.375 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.566 HD13 HD13 ' B' ' 17' ' ' ILE . 88.3 mt -82.17 97.79 8.39 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.307 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.9 mm -93.06 95.42 5.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.498 HG13 HG12 ' A' ' 35' ' ' ILE . 2.7 mp -86.21 108.72 17.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.522 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 30.4 tt0 -112.58 105.73 55.89 Favored Pre-proline 0 N--CA 1.451 -0.424 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.761 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.49 ' HA ' HG12 ' A' ' 33' ' ' VAL . 34.4 Cg_endo -65.03 145.08 84.4 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.648 2.232 . . . . 10.0 111.665 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -72.25 108.24 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.124 0.488 . . . . 10.0 109.844 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 48' ' ' ARG . 5.5 ptp180 -54.43 133.52 45.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.066 -0.97 . . . . 10.0 111.726 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -87.51 88.91 7.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.774 -0.648 . . . . 10.0 109.851 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.179 -0.915 . . . . 10.0 110.417 -179.17 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.155 -0.778 . . . . 10.0 111.155 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 46.2 mt -110.34 119.32 59.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.806 0.303 . . . . 10.0 110.826 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -100.18 88.49 3.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.168 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -90.59 155.42 18.88 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.705 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.87 133.59 41.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.351 -0.386 . . . . 10.0 111.049 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 t -83.82 93.0 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.179 -0.674 . . . . 10.0 109.179 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.579 ' HE3' ' OP2' ' X' ' 7' ' ' ' DA' . 35.4 mmtt -82.84 164.14 20.74 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.009 -0.542 . . . . 10.0 111.94 -178.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.527 ' HB2' HG21 ' A' ' 29' ' ' ILE . 17.5 ttm180 -90.52 106.88 18.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.834 -179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -84.51 80.63 9.17 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 107.777 -1.194 . . . . 10.0 107.777 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.55 -58.61 4.87 Favored Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 110.634 -0.986 . . . . 10.0 110.634 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.829 ' HB3' ' H5 ' ' Y' ' 4' ' ' ' DC' . 10.9 t30 -159.18 -47.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.787 -0.82 . . . . 10.0 108.787 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . 0.64 ' HG ' ' H6 ' ' Y' ' 4' ' ' ' DC' . 11.7 m -75.71 128.76 83.04 Favored Pre-proline 0 N--CA 1.447 -0.623 0 CA-C-N 115.501 -0.772 . . . . 10.0 109.334 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.688 ' HG3' ' HG3' ' A' ' 22' ' ' MET . 56.4 Cg_endo -71.2 150.12 58.94 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.772 2.314 . . . . 10.0 112.173 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.73 137.66 38.52 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.5 -0.773 . . . . 10.0 110.623 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.438 HG11 HG12 ' A' ' 44' ' ' ILE . 44.0 t -80.0 125.68 39.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.406 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.567 HH12 ' HB3' ' A' ' 9' ' ' TRP . 6.4 mmt-85 -73.59 93.22 2.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.951 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.566 HD13 HD13 ' A' ' 42' ' ' LEU . 78.0 mt -107.21 111.97 63.11 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.944 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.583 ' HG2' HD23 ' B' ' 21' ' ' LEU . 19.3 Cg_endo -59.67 146.13 96.22 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.911 2.407 . . . . 10.0 111.968 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.88 -26.24 65.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.053 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.16 -39.0 81.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.009 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.583 HD23 ' HG2' ' B' ' 18' ' ' PRO . 3.7 mm? -73.07 -35.11 66.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.468 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.8 mmm -62.11 -40.56 96.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.648 -0.706 . . . . 10.0 110.106 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -65.84 -33.29 75.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.65 -0.704 . . . . 10.0 111.382 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.88 64.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.3 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 68.4 mt -93.7 -10.06 35.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.25 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 70.31 36.2 1.86 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.642 0.608 . . . . 10.0 112.642 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.41 161.74 21.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 178.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -139.65 -165.14 1.82 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.457 0.54 . . . . 10.0 112.457 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 13.2 mm -70.61 148.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.032 -0.531 . . . . 10.0 111.111 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 75.14 5.59 4.24 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 178.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -82.0 169.12 17.12 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -114.88 143.85 44.47 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.067 0.46 . . . . 10.0 110.455 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' B' ' 46' ' ' PRO . 16.4 m -124.37 139.38 50.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.826 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -92.63 92.15 7.87 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.079 -0.712 . . . . 10.0 109.079 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 50.3 mt -75.76 109.38 9.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.023 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -104.94 139.87 39.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.13 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 tp -101.67 85.82 2.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.272 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 95.5 t -91.57 111.24 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.142 -0.481 . . . . 10.0 109.817 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.7 t70 63.03 12.16 5.71 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.912 -0.585 . . . . 10.0 111.847 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.02 5.92 54.41 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.728 -0.748 . . . . 10.0 112.208 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.39 147.43 23.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.648 0.261 . . . . 10.0 110.305 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 95.1 mt -83.2 93.18 7.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.419 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 18.4 mm -92.42 91.19 3.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.413 HD12 HD13 ' A' ' 44' ' ' ILE . 55.2 mt -84.37 95.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.107 0.479 . . . . 10.0 110.394 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -104.95 107.54 58.97 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.787 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' B' ' 33' ' ' VAL . 44.8 Cg_endo -67.73 157.27 62.53 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.75 2.3 . . . . 10.0 112.371 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 77.9 t -82.64 118.87 31.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.251 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 48' ' ' ARG . 10.3 ptp180 -54.75 151.29 8.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.24 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -115.4 27.45 9.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.65 -0.705 . . . . 10.0 109.611 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 . . . . . 0 C--O 1.246 0.917 0 CA-C-N 115.381 -0.827 . . . . 10.0 110.092 -179.521 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' ' DC' . . . . . 0.74 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.949 0 C3'-C2'-C1' 99.294 -2.433 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' ' DG' . . . . . 0.528 H2'' ' C6 ' ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.999 0 C3'-C2'-C1' 99.671 -2.163 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' ' DT' . . . . . 0.873 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.505 -1.129 0 C3'-C2'-C1' 98.98 -2.657 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' ' DG' . . . . . 0.873 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.975 0 C3'-C2'-C1' 99.471 -2.307 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' ' DA' . . . . . 0.652 H2'' ' OP2' ' X' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.126 0 C3'-C2'-C1' 99.077 -2.588 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' ' DT' . . . . . 0.652 ' OP2' H2'' ' X' ' 5' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.055 0 C3'-C2'-C1' 99.432 -2.334 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' ' DA' . . . . . 0.593 ' OP2' " H2'" ' X' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.059 0 C3'-C2'-C1' 99.381 -2.37 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' ' DT' . . . . . 0.542 H2'' ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.901 0 C3'-C2'-C1' 99.688 -2.151 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' ' DA' . . . . . 0.542 ' OP2' H2'' ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.066 0 C3'-C2'-C1' 99.478 -2.301 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' ' DT' . . . . . 0.525 ' H6 ' ' OP2' ' X' ' 10' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.907 0 C3'-C2'-C1' 99.439 -2.329 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' ' DA' . . . . . 0.609 H2'' ' OP2' ' X' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.883 0 O4'-C1'-C2' 103.719 -2.165 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' ' DG' . . . . . 0.609 ' OP2' H2'' ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.254 0 C3'-C2'-C1' 99.719 -2.129 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 13' ' ' ' DT' . . . . . 0.787 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 99.419 -2.344 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 14' ' ' ' DG' . . . . . 0.787 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.934 0 C3'-C2'-C1' 99.648 -2.18 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' ' DC' . . . . . 0.526 ' H6 ' H2'' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.925 0 C3'-C2'-C1' 99.487 -2.295 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.746 H2'' ' C5 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 99.624 -2.197 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.746 ' C5 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.001 0 C3'-C2'-C1' 99.648 -2.18 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.726 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.015 0 C3'-C2'-C1' 99.42 -2.343 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.829 ' H5 ' ' HB3' ' B' ' 11' ' ' ASN . . . . . . . . 0 C2'--C1' 1.507 -1.01 0 C3'-C2'-C1' 99.659 -2.172 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.774 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.032 0 C3'-C2'-C1' 99.706 -2.139 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.552 " H1'" " H5'" ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 C3'-C2'-C1' 99.652 -2.177 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.552 " H5'" " H1'" ' Y' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.012 0 O4'-C1'-C2' 103.627 -2.248 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.513 ' OP2' H2'' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.879 0 C3'-C2'-C1' 99.416 -2.345 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.515 H2'' ' C8 ' ' Y' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.837 0 O4'-C1'-C2' 103.767 -2.121 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 10' ' ' ' DA' . . . . . 0.515 ' C8 ' H2'' ' Y' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.969 0 O4'-C1'-C2' 103.631 -2.245 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.211 0 C3'-C2'-C1' 99.542 -2.256 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.914 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.24 0 C3'-C2'-C1' 99.109 -2.565 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.914 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.015 0 C3'-C2'-C1' 99.297 -2.431 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.038 0 C3'-C2'-C1' 99.653 -2.176 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.74 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.085 0 C3'-C2'-C1' 99.587 -2.223 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 111.849 -0.5 . . . . 10.0 111.849 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 28.3 mt -131.79 145.45 34.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -98.32 97.84 9.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.181 0.515 . . . . 10.0 111.202 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.8 m -88.43 144.92 26.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.796 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 p -87.77 132.31 34.2 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.1 t -90.45 102.07 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HE3' " O5'" ' Y' ' 7' ' ' ' DT' . 65.6 mmtt -104.03 173.79 6.15 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.441 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -102.32 119.27 38.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.949 0.404 . . . . 10.0 111.662 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -115.65 104.82 12.08 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.744 ' HA2' ' H62' ' Y' ' 10' ' ' ' DA' . . . 84.3 -73.9 2.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.745 -0.741 . . . . 10.0 111.701 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.497 ' HB3' ' N7 ' ' X' ' 4' ' ' ' DG' . 12.8 t30 -147.72 -54.87 0.22 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.897 -0.409 . . . . 10.0 109.897 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.78 149.39 63.68 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.278 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.527 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 38.3 Cg_endo -68.53 150.43 75.17 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.631 2.221 . . . . 10.0 111.275 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.526 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -134.86 130.1 35.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.959 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.2 t -95.81 125.07 48.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.911 -0.586 . . . . 10.0 109.788 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.49 HH22 ' H71' ' Y' ' 7' ' ' ' DT' . 5.9 ptp180 -81.14 126.4 31.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.115 0.483 . . . . 10.0 111.378 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 71.3 mt -113.94 124.49 30.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.734 -0.667 . . . . 10.0 109.885 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.71 ' HG2' HD23 ' A' ' 21' ' ' LEU . 12.0 Cg_endo -55.45 140.4 82.73 Favored 'Trans proline' 0 C--O 1.238 0.48 0 C-N-CA 122.784 2.323 . . . . 10.0 112.011 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.71 54.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 10.0 111.938 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.77 -34.7 74.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.241 -0.436 . . . . 10.0 112.118 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.71 HD23 ' HG2' ' A' ' 18' ' ' PRO . 3.5 mm? -73.25 -31.61 64.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 10.0 110.806 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.444 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 57.0 mtm -65.53 -37.71 87.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.39 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -74.77 -15.93 60.74 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.31 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.72 -46.19 10.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.804 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.43 ' HB2' HD23 ' A' ' 27' ' ' LEU . 41.6 mt -88.84 -12.66 41.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.513 -179.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.24 68.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.428 0.633 . . . . 10.0 111.727 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -127.83 148.25 50.46 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.386 -0.825 . . . . 10.0 109.056 178.503 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -111.59 177.28 4.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.951 0.405 . . . . 10.0 111.944 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mm -77.35 143.32 13.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.45 12.55 5.59 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.689 0.618 . . . . 10.0 111.62 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -79.29 164.56 24.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.167 -0.679 . . . . 10.0 109.167 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -106.25 128.39 53.93 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.312 0.577 . . . . 10.0 111.944 -179.302 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' B' ' 3' ' ' HIS . 15.4 m -113.31 140.04 35.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.481 -0.781 . . . . 10.0 110.399 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 34' ' ' LYS . 23.0 ttpt -91.34 100.82 13.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.412 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.471 HG12 HG13 ' A' ' 44' ' ' ILE . 62.2 mt -82.7 113.53 22.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.024 -0.534 . . . . 10.0 109.681 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -112.38 163.22 14.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.061 -0.518 . . . . 10.0 109.703 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.431 HD11 HD21 ' B' ' 25' ' ' LEU . 17.5 tp -123.98 107.29 11.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.144 0.497 . . . . 10.0 110.554 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.5 t -127.93 125.45 64.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.807 -0.633 . . . . 10.0 109.313 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.6 t70 62.97 21.23 12.77 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.614 0.721 . . . . 10.0 111.505 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.41 12.56 84.16 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.773 -0.727 . . . . 10.0 111.777 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.92 145.37 31.37 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 110.418 -0.215 . . . . 10.0 110.418 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.1 mt -80.01 103.37 9.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.229 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.8 mm -96.06 92.93 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.087 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.87 HD13 HD13 ' B' ' 44' ' ' ILE . 3.5 mp -88.47 100.72 10.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.298 0.57 . . . . 10.0 109.783 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 33.5 tt0 -105.85 111.6 64.54 Favored Pre-proline 0 N--CA 1.448 -0.554 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.359 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.54 129.67 18.25 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.599 2.199 . . . . 10.0 111.173 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 t -76.42 101.47 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.379 -0.6 . . . . 10.0 109.379 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.47 ' HD3' ' OE1' ' A' ' 50' ' ' GLU . 9.7 ptp180 -49.9 137.56 16.52 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.82 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -99.05 30.33 3.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.152 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.47 ' OE1' ' HD3' ' A' ' 48' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.597 -0.716 . . . . 10.0 110.365 179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.845 0 N-CA-C 111.964 -0.454 . . . . 10.0 111.964 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 41.8 mt -100.7 117.78 46.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.997 -0.371 . . . . 10.0 109.997 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . 0.425 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 19.6 m-70 -95.77 105.0 16.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.88 0.371 . . . . 10.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m -109.34 149.17 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.52 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.451 ' HB2' ' HE2' ' B' ' 7' ' ' LYS . 0.0 OUTLIER -88.55 137.49 32.28 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.867 0.365 . . . . 10.0 111.145 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 11.3 t -78.96 78.76 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.068 -0.715 . . . . 10.0 109.068 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.766 ' HE3' " H3'" ' X' ' 5' ' ' ' DA' . 74.8 mmtt -69.78 155.72 40.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.679 -0.691 . . . . 10.0 111.837 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 8' ' ' ARG . 33.6 ttt180 -93.63 111.24 22.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.521 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.5 ' CE2' ' H72' ' Y' ' 7' ' ' ' DT' . 3.7 t90 -83.82 74.74 10.16 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.507 -0.553 . . . . 10.0 109.507 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.73 -57.4 4.93 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.64 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -146.55 -49.28 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.872 0.367 . . . . 10.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.58 149.67 65.02 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.277 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.444 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 93.6 Cg_endo -80.12 146.88 18.26 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.627 2.218 . . . . 10.0 112.412 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.526 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -141.8 134.42 28.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.778 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 94.5 t -95.39 132.17 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.02 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -82.16 127.09 32.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.092 -0.503 . . . . 10.0 111.47 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 77.2 mt -122.39 119.04 28.57 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.844 -0.616 . . . . 10.0 109.528 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.23 137.2 70.46 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.951 2.434 . . . . 10.0 112.421 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.27 -31.7 70.48 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.473 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -28.18 68.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.887 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -83.91 -35.64 23.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.138 0.494 . . . . 10.0 110.114 179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.527 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 36.1 mmm -61.27 -48.13 82.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.708 -0.678 . . . . 10.0 109.891 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -68.27 -21.02 64.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.498 -0.774 . . . . 10.0 111.069 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.71 -35.94 67.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.431 HD21 HD11 ' A' ' 37' ' ' LEU . 48.1 mt -90.48 -7.16 53.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.654 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 t30 74.62 16.7 3.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.218 1.192 . . . . 10.0 114.218 178.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.449 HD13 ' HB3' ' B' ' 46' ' ' PRO . 0.8 OUTLIER -94.39 153.39 17.99 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.687 -0.405 . . . . 10.0 109.932 178.709 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -122.74 -174.54 2.95 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.282 0.475 . . . . 10.0 112.282 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 27.2 mm -72.63 150.18 8.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.45 -0.574 . . . . 10.0 109.45 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 38.6 t70 77.85 0.17 2.76 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.599 0.714 . . . . 10.0 111.445 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -75.76 165.25 25.32 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.906 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -110.43 131.39 55.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.802 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.464 ' HB ' HG23 ' B' ' 44' ' ' ILE . 8.0 m -111.51 131.54 62.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 10.0 111.266 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.489 ' HE3' ' HB3' ' B' ' 34' ' ' LYS . 22.5 ttpp -85.36 92.88 8.59 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.554 -0.748 . . . . 10.0 109.376 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.621 HG12 HG13 ' B' ' 44' ' ' ILE . 60.2 mt -78.84 118.21 25.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.03 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -122.82 144.65 49.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.344 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 25.6 tp -95.19 86.88 4.69 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.407 -0.59 . . . . 10.0 109.407 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.866 ' HB ' HG13 ' B' ' 43' ' ' ILE . 93.2 t -105.29 126.19 60.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.262 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 63.66 19.17 11.58 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.653 0.596 . . . . 10.0 111.307 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.17 15.66 79.93 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.566 -0.826 . . . . 10.0 112.164 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.36 157.08 27.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.784 0.326 . . . . 10.0 110.319 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 88.4 mt -81.31 98.33 8.1 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.681 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.866 HG13 ' HB ' ' B' ' 38' ' ' VAL . 29.5 mm -96.28 106.27 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.588 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.956 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.87 HD13 HD13 ' A' ' 44' ' ' ILE . 1.9 mp -93.36 110.56 23.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.943 -0.571 . . . . 10.0 109.918 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -114.32 101.48 54.17 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.179 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.449 ' HB3' HD13 ' B' ' 27' ' ' LEU . 44.4 Cg_endo -68.22 151.29 76.88 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.368 2.045 . . . . 10.0 111.959 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.38 102.92 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.038 0.447 . . . . 10.0 110.314 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -59.5 126.35 27.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.439 -0.8 . . . . 10.0 111.607 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -81.79 80.01 8.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.147 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.817 0 CA-C-O 118.613 -0.708 . . . . 10.0 110.546 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' ' DC' . . . . . 0.74 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 99.543 -2.255 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.059 0 C3'-C2'-C1' 99.526 -2.267 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' ' DT' . . . . . 0.818 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.077 0 C3'-C2'-C1' 99.209 -2.494 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' ' DG' . . . . . 0.818 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 C3'-C2'-C1' 99.445 -2.325 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' ' DA' . . . . . 0.766 " H3'" ' HE3' ' B' ' 7' ' ' LYS . . . . . . . . 0 C2'--C1' 1.507 -0.971 0 C3'-C2'-C1' 99.607 -2.209 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' ' DT' . . . . . 0.471 ' OP2' H2'' ' X' ' 5' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.141 0 C3'-C2'-C1' 99.276 -2.446 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' ' DA' . . . . . 0.713 " H1'" " H5'" ' X' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.082 0 C3'-C2'-C1' 99.678 -2.159 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' ' DT' . . . . . 0.713 " H5'" " H1'" ' X' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.992 0 C3'-C2'-C1' 99.479 -2.301 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' ' DA' . . . . . 0.619 " H2'" ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.09 0 C3'-C2'-C1' 99.274 -2.447 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.057 0 C3'-C2'-C1' 99.217 -2.488 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' ' DA' . . . . . 0.592 H2'' ' OP2' ' X' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.964 0 O4'-C1'-C2' 103.669 -2.21 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' ' DG' . . . . . 0.592 ' OP2' H2'' ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.027 0 C3'-C2'-C1' 99.293 -2.434 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 13' ' ' ' DT' . . . . . 0.655 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.052 0 C3'-C2'-C1' 99.407 -2.352 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 14' ' ' ' DG' . . . . . 0.655 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.073 0 C3'-C2'-C1' 99.417 -2.345 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 15' ' ' ' DC' . . . . . 0.542 ' C6 ' H2'' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 C3'-C2'-C1' 99.715 -2.132 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.739 H2'' ' C6 ' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.09 0 O4'-C1'-C2' 103.784 -2.106 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.739 ' C6 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.997 0 C3'-C2'-C1' 99.748 -2.108 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.633 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.887 0 C3'-C2'-C1' 99.628 -2.195 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.708 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 O4'-C1'-C2' 103.676 -2.203 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.708 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.505 -1.177 0 C3'-C2'-C1' 99.515 -2.275 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.543 " H2'" ' OP2' ' Y' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.072 0 O4'-C1'-C2' 103.736 -2.149 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.51 " O5'" ' HE3' ' A' ' 7' ' ' LYS . . . . . . . . 0 C2'--C1' 1.508 -0.933 0 C3'-C2'-C1' 99.543 -2.255 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.435 ' OP2' H2'' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.86 0 O4'-C1'-C2' 103.641 -2.236 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.562 H2'' ' C8 ' ' Y' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.15 0 C3'-C2'-C1' 99.605 -2.211 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 10' ' ' ' DA' . . . . . 0.744 ' H62' ' HA2' ' A' ' 10' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 99.654 -2.176 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 11' ' ' ' DT' . . . . . 0.405 H2'' ' OP2' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.505 -1.116 0 C3'-C2'-C1' 99.566 -2.238 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.782 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.134 0 C3'-C2'-C1' 99.251 -2.464 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.782 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.987 0 C3'-C2'-C1' 99.46 -2.315 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.17 0 C3'-C2'-C1' 99.217 -2.488 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.74 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.896 0 O4'-C1'-C2' 103.762 -2.125 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.882 -0.487 . . . . 10.0 111.882 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 56.7 mt -89.97 111.51 23.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.741 0.305 . . . . 10.0 110.619 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -77.13 101.43 6.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.102 0.477 . . . . 10.0 110.357 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 m -102.83 143.01 32.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.99 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.87 132.84 34.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.288 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.43 97.75 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.617 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.549 ' HE3' " O5'" ' Y' ' 7' ' ' ' DT' . 69.4 mmtt -87.28 163.64 16.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.438 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 5.4 tmm_? -102.48 108.97 20.47 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.861 -0.609 . . . . 10.0 111.638 -178.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -93.88 107.22 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.647 ' HA2' ' H62' ' Y' ' 10' ' ' ' DA' . . . 79.02 -68.77 3.03 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.564 -0.827 . . . . 10.0 111.18 -178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -153.8 -45.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.907 0.384 . . . . 10.0 110.25 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.556 ' OG ' ' H8 ' ' X' ' 4' ' ' ' DG' . 0.9 OUTLIER -85.02 134.17 41.7 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.481 -0.327 . . . . 10.0 110.422 179.616 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.495 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 19.7 Cg_endo -62.37 147.8 94.33 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.39 2.06 . . . . 10.0 110.748 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.34 122.43 21.44 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.036 0.446 . . . . 10.0 111.836 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.9 t -87.85 116.99 30.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.065 -0.717 . . . . 10.0 109.065 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -77.64 139.97 39.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.009 0.433 . . . . 10.0 111.777 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.5 mt -118.19 124.73 28.41 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 109.068 -0.716 . . . . 10.0 109.068 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.459 ' HG2' HD23 ' A' ' 21' ' ' LEU . 18.9 Cg_endo -61.73 147.23 95.77 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.451 2.101 . . . . 10.0 111.401 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.8 -30.05 56.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.538 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -40.14 84.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.635 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.459 HD23 ' HG2' ' A' ' 18' ' ' PRO . 2.4 mm? -72.85 -31.1 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.036 0.446 . . . . 10.0 110.544 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -65.65 -39.72 91.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.672 -0.694 . . . . 10.0 110.111 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -75.69 -24.82 56.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.89 -46.61 23.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.589 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.555 ' HB2' HD23 ' A' ' 27' ' ' LEU . 89.9 mt -86.71 -5.1 59.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.848 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 t30 58.02 56.7 4.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.234 0.54 . . . . 10.0 111.3 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 25' ' ' LEU . 1.7 pp -110.27 165.54 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.793 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -121.81 176.36 5.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.923 0.392 . . . . 10.0 111.492 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.5 mm -82.03 137.24 21.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.095 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.1 t70 66.91 18.4 10.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.685 -0.689 . . . . 10.0 112.151 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.482 ' CG ' ' HZ3' ' A' ' 49' ' ' LYS . 33.0 t0 -87.17 153.24 21.66 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.498 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -83.65 125.61 32.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.578 0.704 . . . . 10.0 112.802 -178.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' B' ' 3' ' ' HIS . 24.4 m -110.69 145.27 17.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.322 -0.854 . . . . 10.0 109.422 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -92.44 96.27 10.15 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.911 0.386 . . . . 10.0 110.693 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.6 mt -85.61 126.17 40.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.143 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -130.09 148.53 51.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.589 HD11 HD21 ' B' ' 25' ' ' LEU . 26.4 tp -104.64 94.3 5.23 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.44 -0.578 . . . . 10.0 109.44 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HB ' HG13 ' A' ' 43' ' ' ILE . 93.2 t -104.54 109.71 28.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.222 -0.445 . . . . 10.0 111.28 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.24 44.09 19.33 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.121 0.785 . . . . 10.0 113.121 179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.33 15.68 77.1 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 121.213 -0.518 . . . . 10.0 113.211 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -116.68 138.89 51.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.572 0.225 . . . . 10.0 110.584 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.8 mt -79.51 103.0 9.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.097 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG13 ' HB ' ' A' ' 38' ' ' VAL . 28.6 mm -98.35 92.14 2.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.705 -0.679 . . . . 10.0 109.996 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.822 HD13 HD13 ' B' ' 44' ' ' ILE . 4.4 mp -92.35 106.35 17.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.044 -0.526 . . . . 10.0 109.655 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.463 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 28.4 tt0 -118.63 111.39 37.85 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.888 -0.597 . . . . 10.0 110.505 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.528 ' HA ' HG12 ' A' ' 33' ' ' VAL . 22.5 Cg_endo -63.13 136.84 58.3 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.498 2.132 . . . . 10.0 111.222 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 t -77.02 94.86 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -50.55 120.32 4.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.226 -0.897 . . . . 10.0 112.184 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HZ3' ' CG ' ' A' ' 31' ' ' ASP . 46.6 mmtm -91.5 96.91 10.75 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.463 -0.79 . . . . 10.0 110.369 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.415 -0.803 . . . . 10.0 110.219 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 112.302 -0.319 . . . . 10.0 112.302 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 29.5 mt -100.65 130.3 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . 0.545 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 14.3 m-70 -101.1 104.13 15.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.976 0.417 . . . . 10.0 111.273 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -113.6 153.14 29.32 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.442 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.472 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 3.6 m -89.35 137.73 32.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.665 0.269 . . . . 10.0 111.157 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.6 t -75.93 98.3 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.232 -0.44 . . . . 10.0 109.938 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -74.61 170.9 14.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.783 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -120.93 110.24 16.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.275 -0.42 . . . . 10.0 109.923 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.408 ' HZ2' ' N7 ' ' Y' ' 8' ' ' ' DA' . 9.8 t90 -105.78 109.18 21.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.461 -0.336 . . . . 10.0 110.401 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.57 -60.45 4.74 Favored Glycine 0 N--CA 1.45 -0.402 0 N-CA-C 110.587 -1.005 . . . . 10.0 110.587 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -168.9 -43.59 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.97 135.87 70.23 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.293 -0.867 . . . . 10.0 110.6 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -64.95 144.82 84.04 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.45 2.1 . . . . 10.0 111.167 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.68 140.8 33.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.882 0.373 . . . . 10.0 111.345 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 88.3 t -94.86 127.66 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.263 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . 0.466 ' NH1' H2'' ' X' ' 4' ' ' ' DG' . 11.6 mmt85 -78.55 126.57 30.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.722 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 72.5 mt -122.46 130.73 24.55 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.899 179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . 0.763 ' HG2' ' HB2' ' B' ' 21' ' ' LEU . 19.1 Cg_endo -61.43 137.27 68.85 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.514 2.143 . . . . 10.0 111.511 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.86 -29.88 70.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.084 0.469 . . . . 10.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -34.1 77.34 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.423 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.763 ' HB2' ' HG2' ' B' ' 18' ' ' PRO . 0.3 OUTLIER -72.26 -32.85 67.03 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.121 -0.491 . . . . 10.0 110.021 179.312 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.495 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 68.3 mmm -62.06 -42.15 98.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.95 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -69.05 -27.48 65.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.612 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.39 -31.98 64.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.04 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.589 HD21 HD11 ' A' ' 37' ' ' LEU . 93.4 mt -92.8 -6.3 49.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.034 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 57.8 t30 71.27 63.01 0.16 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.357 -0.838 . . . . 10.0 113.255 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.637 HD13 ' HB3' ' B' ' 46' ' ' PRO . 0.8 OUTLIER -158.91 157.34 31.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 178.236 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.29 -166.78 1.67 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.882 0.372 . . . . 10.0 111.703 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -71.9 150.81 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 10.0 110.858 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 26.6 t70 74.62 6.22 4.49 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.267 0.627 . . . . 10.0 112.551 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -81.84 159.17 23.79 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -102.49 131.15 49.38 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.34 0.59 . . . . 10.0 111.516 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.9 m -113.82 138.71 42.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.962 -0.563 . . . . 10.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -88.09 98.47 11.56 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.995 -0.743 . . . . 10.0 108.995 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 23.3 mt -77.9 98.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.76 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.429 ' HB3' ' HB ' ' B' ' 43' ' ' ILE . 1.1 t0 -96.68 165.46 12.13 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.447 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 20.9 tp -133.5 99.11 4.4 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -107.32 100.89 11.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.205 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t0 56.59 61.78 2.54 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.819 0.699 . . . . 10.0 111.579 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.62 45.63 93.03 Favored Glycine 0 CA--C 1.517 0.195 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.965 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -143.72 129.66 19.5 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.168 -0.308 . . . . 10.0 110.168 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.3 mt -76.93 105.72 8.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.37 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' B' ' 36' ' ' ASP . 25.2 mm -102.57 94.08 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.015 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.822 HD13 HD13 ' A' ' 44' ' ' ILE . 2.3 mp -87.19 110.63 20.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.025 0.44 . . . . 10.0 110.599 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -118.81 106.21 44.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.619 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.637 ' HB3' HD13 ' B' ' 27' ' ' LEU . 36.8 Cg_endo -66.7 144.68 72.84 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.58 2.187 . . . . 10.0 111.51 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -71.01 104.11 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.922 0.392 . . . . 10.0 110.563 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.554 ' HD3' ' OE2' ' B' ' 50' ' ' GLU . 9.9 ptp180 -53.74 124.43 15.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.635 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -87.65 70.52 9.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.807 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.554 ' OE2' ' HD3' ' B' ' 48' ' ' ARG . 38.7 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.55 -0.738 . . . . 10.0 109.927 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' ' DC' . . . . . 0.732 ' O2 ' ' N2 ' ' Y' ' 15' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.03 0 C3'-C2'-C1' 99.667 -2.167 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.129 0 C3'-C2'-C1' 99.289 -2.437 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' ' DT' . . . . . 0.84 " H4'" ' OP1' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.07 0 C3'-C2'-C1' 98.594 -2.933 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' ' DG' . . . . . 0.84 ' OP1' " H4'" ' X' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.137 0 C3'-C2'-C1' 99.34 -2.4 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' ' DA' . . . . . 0.517 ' OP2' H2'' ' X' ' 4' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.925 0 O4'-C1'-C2' 103.609 -2.265 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.91 0 C3'-C2'-C1' 99.59 -2.221 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.906 0 C3'-C2'-C1' 99.678 -2.159 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' ' DT' . . . . . 0.572 H2'' ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.148 0 C3'-C2'-C1' 99.479 -2.301 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' ' DA' . . . . . 0.615 " H2'" ' OP2' ' X' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.925 0 C3'-C2'-C1' 99.587 -2.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' ' DT' . . . . . 0.413 H2'' ' C8 ' ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.108 0 C3'-C2'-C1' 99.569 -2.236 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' ' DA' . . . . . 0.549 H2'' ' OP2' ' X' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 O4'-C1'-C2' 103.788 -2.102 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' ' DG' . . . . . 0.549 ' OP2' H2'' ' X' ' 11' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.027 0 C3'-C2'-C1' 99.195 -2.504 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 13' ' ' ' DT' . . . . . 0.633 H2'' ' C8 ' ' X' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.026 0 C3'-C2'-C1' 99.249 -2.465 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 14' ' ' ' DG' . . . . . 0.633 ' C8 ' H2'' ' X' ' 13' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.014 0 C3'-C2'-C1' 99.632 -2.192 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-C1' 99.587 -2.223 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' Y' Y ' 1' ' ' ' DG' . . . . . 0.666 ' OP2' ' H8 ' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 99.563 -2.241 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 2' ' ' ' DC' . . . . . 0.66 ' C5 ' H2'' ' Y' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 O4'-C1'-C2' 103.714 -2.169 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 3' ' ' ' DA' . . . . . 0.593 ' C8 ' H2'' ' Y' ' 2' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.988 0 O4'-C1'-C2' 103.638 -2.239 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 4' ' ' ' DC' . . . . . 0.717 H2'' ' OP2' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.058 0 O4'-C1'-C2' 103.694 -2.187 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 5' ' ' ' DT' . . . . . 0.717 ' OP2' H2'' ' Y' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.902 0 C3'-C2'-C1' 99.406 -2.353 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 6' ' ' ' DA' . . . . . 0.444 ' OP2' H2'' ' Y' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.052 0 O4'-C1'-C2' 103.641 -2.235 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 7' ' ' ' DT' . . . . . 0.549 " O5'" ' HE3' ' A' ' 7' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-C1' 99.61 -2.207 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 8' ' ' ' DA' . . . . . 0.464 ' OP2' H2'' ' Y' ' 7' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.025 0 O4'-C1'-C2' 103.701 -2.181 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 9' ' ' ' DT' . . . . . 0.544 H2'' ' C8 ' ' Y' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 C3'-C2'-C1' 99.743 -2.112 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 10' ' ' ' DA' . . . . . 0.647 ' H62' ' HA2' ' A' ' 10' ' ' GLY . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.689 -2.151 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.991 0 C3'-C2'-C1' 99.558 -2.244 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' Y' Y ' 12' ' ' ' DC' . . . . . 0.851 H2'' ' C8 ' ' Y' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.208 0 C3'-C2'-C1' 98.946 -2.681 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 13' ' ' ' DA' . . . . . 0.851 ' C8 ' H2'' ' Y' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.949 0 C3'-C2'-C1' 99.321 -2.413 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.062 0 C3'-C2'-C1' 99.33 -2.407 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' Y' Y ' 15' ' ' ' DG' . . . . . 0.732 ' N2 ' ' O2 ' ' X' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.015 0 O4'-C1'-C2' 103.67 -2.209 . . . . 10.0 . . . . . . . . . . 1 1 . 1 stop_ save_